6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

C23H25N3O2 — CID 56861576

IUPAC6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(-c3cccc(CN)c3)nc2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-21-10-7-17(8-11-21)5-3-13-25-23(27)20-9-12-22(26-16-20)19-6-2-4-18(14-19)15-24/h2,4,6-12,14,16H,3,5,13,15,24H2,1H3,(H,25,27)
InChIKeyYEAQLMRVLSKGQC-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.58
Rot. Bonds8

About 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (PubChem CID 56861576) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
PubChem CID56861576
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(-c3cccc(CN)c3)nc2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-21-10-7-17(8-11-21)5-3-13-25-23(27)20-9-12-22(26-16-20)19-6-2-4-18(14-19)15-24/h2,4,6-12,14,16H,3,5,13,15,24H2,1H3,(H,25,27)
InChIKeyYEAQLMRVLSKGQC-UHFFFAOYSA-N
XLogP3.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742411
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56755893
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (CID 56861576) is 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2ccc(-c3cccc(CN)c3)nc2)cc1.
What is the InChIKey of 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is YEAQLMRVLSKGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-21-10-7-17(8-11-21)5-3-13-25-23(27)20-9-12-22(26-16-20)19-6-2-4-18(14-19)15-24/h2,4,6-12,14,16H,3,5,13,15,24H2,1H3,(H,25,27).
What are the key properties of 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)phenyl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56861576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).