5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C14H15N3O2 — CID 110851643

IUPAC5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(N)c2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7,15H2,1H3,(H,17,18)
InChIKeyBCXRFADFFXMSMR-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.60
Rot. Bonds4

About 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 110851643) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID110851643
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(N)c2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7,15H2,1H3,(H,17,18)
InChIKeyBCXRFADFFXMSMR-UHFFFAOYSA-N
XLogP1.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 110851643) is 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(N)c2)cc1.
What is the InChIKey of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is BCXRFADFFXMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110851643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).