4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

C15H17N3O2 — CID 81242597

IUPAC4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(C)cc2N)c1
InChIInChI=1S/C15H17N3O2/c1-10-6-14(16)13(9-17-10)15(19)18-8-11-4-3-5-12(7-11)20-2/h3-7,9H,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyNTQLRRQNETZJIK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

About 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 81242597) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID81242597
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(C)cc2N)c1
InChIInChI=1S/C15H17N3O2/c1-10-6-14(16)13(9-17-10)15(19)18-8-11-4-3-5-12(7-11)20-2/h3-7,9H,8H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyNTQLRRQNETZJIK-UHFFFAOYSA-N
XLogP1.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
5-bromo-2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62237338
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
CID 20959670
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (CID 81242597) is 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is COc1cccc(CNC(=O)c2cnc(C)cc2N)c1.
What is the InChIKey of 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is NTQLRRQNETZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-14(16)13(9-17-10)15(19)18-8-11-4-3-5-12(7-11)20-2/h3-7,9H,8H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81242597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).