dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine

C74H86Cl7K2N16O17P — CID 159233970

IUPACdipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine
SMILESCCOC(=O)CC(=O)OCC.CCOC(=O)c1c(O)c2cnccc2[nH]c1=O.COC(=O)c1cnccc1N.Clc1cc(Cl)c2cnccc2n1.Clc1cc(NCCCN2CCCCC2)c2cnccc2n1.NCCCN1CCCCC1.O=CO[O-].O=P(Cl)(Cl)Cl.O=c1cc(Cl)[nH]c2ccncc12.O=c1cc(O)c2cnccc2[nH]1.[H-].[K+].[K+]
InChIInChI=1S/C16H21ClN4.C11H10N2O4.C8H4Cl2N2.C8H5ClN2O.C8H6N2O2.C8H18N2.C7H8N2O2.C7H12O4.CH2O3.Cl3OP.2K.H/c17-16-11-15(13-12-18-7-5-14(13)20-16)19-6-4-10-21-8-2-1-3-9-21;1-2-17-11(16)8-9(14)6-5-12-4-3-7(6)13-10(8)15;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-8-3-7(12)5-4-10-2-1-6(5)11-8;11-7-3-8(12)10-6-1-2-9-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10;1-11-7(10)5-4-9-3-2-6(5)8;1-3-10-6(8)5-7(9)11-4-2;2-1-4-3;1-5(2,3)4;;;/h5,7,11-12H,1-4,6,8-10H2,(H,19,20);3-5H,2H2,1H3,(H2,13,14,15);1-4H;1-4H,(H,11,12);1-4H,(H2,10,11,12);1-9H2;2-4H,1H3,(H2,8,9);3-5H2,1-2H3;1,3H;;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyCEMYZNNZRURQRR-UHFFFAOYSA-M
MW1828.94 g/mol
LogP6.66
Rot. Bonds16

About dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine

dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine (PubChem CID 159233970) has the molecular formula C74H86Cl7K2N16O17P and a molecular weight of 1828.94 g/mol. Its IUPAC name is dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Namedipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine
PubChem CID159233970
Molecular FormulaC74H86Cl7K2N16O17P
Molecular Weight1828.94 g/mol
Exact Mass1824.32
IUPAC Namedipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine
SMILESCCOC(=O)CC(=O)OCC.CCOC(=O)c1c(O)c2cnccc2[nH]c1=O.COC(=O)c1cnccc1N.Clc1cc(Cl)c2cnccc2n1.Clc1cc(NCCCN2CCCCC2)c2cnccc2n1.NCCCN1CCCCC1.O=CO[O-].O=P(Cl)(Cl)Cl.O=c1cc(Cl)[nH]c2ccncc12.O=c1cc(O)c2cnccc2[nH]1.[H-].[K+].[K+]
InChIInChI=1S/C16H21ClN4.C11H10N2O4.C8H4Cl2N2.C8H5ClN2O.C8H6N2O2.C8H18N2.C7H8N2O2.C7H12O4.CH2O3.Cl3OP.2K.H/c17-16-11-15(13-12-18-7-5-14(13)20-16)19-6-4-10-21-8-2-1-3-9-21;1-2-17-11(16)8-9(14)6-5-12-4-3-7(6)13-10(8)15;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-8-3-7(12)5-4-10-2-1-6(5)11-8;11-7-3-8(12)10-6-1-2-9-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10;1-11-7(10)5-4-9-3-2-6(5)8;1-3-10-6(8)5-7(9)11-4-2;2-1-4-3;1-5(2,3)4;;;/h5,7,11-12H,1-4,6,8-10H2,(H,19,20);3-5H,2H2,1H3,(H2,13,14,15);1-4H;1-4H,(H,11,12);1-4H,(H2,10,11,12);1-9H2;2-4H,1H3,(H2,8,9);3-5H2,1-2H3;1,3H;;;;/q;;;;;;;;;;2*+1;-1/p-1
InChIKeyCEMYZNNZRURQRR-UHFFFAOYSA-M
XLogP6.66
TPSA484.34 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001828.94
LogP ≤ 56.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine?
The IUPAC name of dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine (CID 159233970) is dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine is CCOC(=O)CC(=O)OCC.CCOC(=O)c1c(O)c2cnccc2[nH]c1=O.COC(=O)c1cnccc1N.Clc1cc(Cl)c2cnccc2n1.Clc1cc(NCCCN2CCCCC2)c2cnccc2n1.NCCCN1CCCCC1.O=CO[O-].O=P(Cl)(Cl)Cl.O=c1cc(Cl)[nH]c2ccncc12.O=c1cc(O)c2cnccc2[nH]1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine?
The InChIKey is CEMYZNNZRURQRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21ClN4.C11H10N2O4.C8H4Cl2N2.C8H5ClN2O.C8H6N2O2.C8H18N2.C7H8N2O2.C7H12O4.CH2O3.Cl3OP.2K.H/c17-16-11-15(13-12-18-7-5-14(13)20-16)19-6-4-10-21-8-2-1-3-9-21;1-2-17-11(16)8-9(14)6-5-12-4-3-7(6)13-10(8)15;9-6-3-8(10)12-7-1-2-11-4-5(6)7;9-8-3-7(12)5-4-10-2-1-6(5)11-8;11-7-3-8(12)10-6-1-2-9-4-5(6)7;9-5-4-8-10-6-2-1-3-7-10;1-11-7(10)5-4-9-3-2-6(5)8;1-3-10-6(8)5-7(9)11-4-2;2-1-4-3;1-5(2,3)4;;;/h5,7,11-12H,1-4,6,8-10H2,(H,19,20);3-5H,2H2,1H3,(H2,13,14,15);1-4H;1-4H,(H,11,12);1-4H,(H2,10,11,12);1-9H2;2-4H,1H3,(H2,8,9);3-5H2,1-2H3;1,3H;;;;/q;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine?
dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine has a molecular weight of 1828.94 g/mol, XLogP of 6.66, 16 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 159233970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).