N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide

C24H27N5O4 — CID 134356998

IUPACN-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCOc1cncc(-c2ccc(NC(=O)CN3CCCC(C=O)=C3C(=O)N(C)C3CC3)cn2)c1
InChIInChI=1S/C24H27N5O4/c1-28(19-6-7-19)24(32)23-16(15-30)4-3-9-29(23)14-22(31)27-18-5-8-21(26-12-18)17-10-20(33-2)13-25-11-17/h5,8,10-13,15,19H,3-4,6-7,9,14H2,1-2H3,(H,27,31)
InChIKeyZTSQJCGVOPHTPL-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.26
Rot. Bonds8

About N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide

N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 134356998) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID134356998
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCOc1cncc(-c2ccc(NC(=O)CN3CCCC(C=O)=C3C(=O)N(C)C3CC3)cn2)c1
InChIInChI=1S/C24H27N5O4/c1-28(19-6-7-19)24(32)23-16(15-30)4-3-9-29(23)14-22(31)27-18-5-8-21(26-12-18)17-10-20(33-2)13-25-11-17/h5,8,10-13,15,19H,3-4,6-7,9,14H2,1-2H3,(H,27,31)
InChIKeyZTSQJCGVOPHTPL-UHFFFAOYSA-N
XLogP2.26
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide with MolForge

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Related Compounds

5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357038
N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357045
5-formyl-N,N-dimethyl-1-[2-[[5-(5-methylpyrazin-2-yl)-2-pyridinyl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357420
5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357033
5-formyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356964
N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357136
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 122652940
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
CID 118174120
ethane;1-[2-[[(E)-1-[(5-fluoro-3-pyridinyl)methylimino]but-2-en-2-yl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 144869138
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758
2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 91909057
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide (CID 134356998) is N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide is COc1cncc(-c2ccc(NC(=O)CN3CCCC(C=O)=C3C(=O)N(C)C3CC3)cn2)c1.
What is the InChIKey of N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is ZTSQJCGVOPHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-28(19-6-7-19)24(32)23-16(15-30)4-3-9-29(23)14-22(31)27-18-5-8-21(26-12-18)17-10-20(33-2)13-25-11-17/h5,8,10-13,15,19H,3-4,6-7,9,14H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 134356998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).