ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine

C31H49N5O2 — CID 142467357

IUPACethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine
SMILESCC.CC(C)N.CCCc1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1.O=CO
InChIInChI=1S/C25H32N4.C3H9N.C2H6.CH2O2/c1-2-7-20-8-10-21(11-9-20)24-18-25(22-19-26-14-12-23(22)28-24)27-13-6-17-29-15-4-3-5-16-29;1-3(2)4;1-2;2-1-3/h8-12,14,18-19H,2-7,13,15-17H2,1H3,(H,27,28);3H,4H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyUYKMIDGZQLBCSO-UHFFFAOYSA-N
MW523.77 g/mol
LogP6.62
Rot. Bonds8

About ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine

ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine (PubChem CID 142467357) has the molecular formula C31H49N5O2 and a molecular weight of 523.77 g/mol. Its IUPAC name is ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine.

Molecular Properties

Compound Nameethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine
PubChem CID142467357
Molecular FormulaC31H49N5O2
Molecular Weight523.77 g/mol
Exact Mass523.39
IUPAC Nameethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine
SMILESCC.CC(C)N.CCCc1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1.O=CO
InChIInChI=1S/C25H32N4.C3H9N.C2H6.CH2O2/c1-2-7-20-8-10-21(11-9-20)24-18-25(22-19-26-14-12-23(22)28-24)27-13-6-17-29-15-4-3-5-16-29;1-3(2)4;1-2;2-1-3/h8-12,14,18-19H,2-7,13,15-17H2,1H3,(H,27,28);3H,4H2,1-2H3;1-2H3;1H,(H,2,3)
InChIKeyUYKMIDGZQLBCSO-UHFFFAOYSA-N
XLogP6.62
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.77
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine with MolForge

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Related Compounds

2-[3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]propanoylamino]acetic acid
CID 142467394
4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)benzamide
CID 135372873
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
CID 135373155
(E)-N-[2-(diethylamino)-2-oxoethyl]-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135372300
(E)-N-(1-methylpiperidin-4-yl)-3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]prop-2-enamide
CID 135373118
N,N-diethyl-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxamide;N-ethylethanamine;6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 159815289
N,N-diethyl-4-[4-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-yl]benzamide
CID 135372997
1-methylpiperidin-4-amine;N-(1-methylpiperidin-4-yl)-2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetamide;2-[[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenyl]methoxy]acetic acid
CID 158355806
tert-butyl 4-[[3-[4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]phenoxy]propylamino]methyl]piperidine-1-carboxylate
CID 135372528
[2-formyl-6-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indol-1-yl] thiohypofluorite;methanol;N-methylmethanimine
CID 142467355
5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-N-(2-pyridin-4-ylethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carboxamide
CID 153453981
1-methyl-N-(oxan-4-yl)-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide
CID 135372487

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine?
The IUPAC name of ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine (CID 142467357) is ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine.
What is the SMILES notation for ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine?
The canonical SMILES for ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine is CC.CC(C)N.CCCc1ccc(-c2cc(NCCCN3CCCCC3)c3cnccc3n2)cc1.O=CO.
What is the InChIKey of ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine?
The InChIKey is UYKMIDGZQLBCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4.C3H9N.C2H6.CH2O2/c1-2-7-20-8-10-21(11-9-20)24-18-25(22-19-26-14-12-23(22)28-24)27-13-6-17-29-15-4-3-5-16-29;1-3(2)4;1-2;2-1-3/h8-12,14,18-19H,2-7,13,15-17H2,1H3,(H,27,28);3H,4H2,1-2H3;1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine?
ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine has a molecular weight of 523.77 g/mol, XLogP of 6.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;N-(3-piperidin-1-ylpropyl)-2-(4-propylphenyl)-1,6-naphthyridin-4-amine;propan-2-amine is sourced from PubChem (CID 142467357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).