2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide

C14H16N4O2 — CID 114326282

IUPAC2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(CN)c2)cn1
InChIInChI=1S/C14H16N4O2/c1-20-13-3-2-10(8-17-13)9-18-14(19)11-4-5-16-12(6-11)7-15/h2-6,8H,7,9,15H2,1H3,(H,18,19)
InChIKeyKKHHZQTYTVCJES-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.87
Rot. Bonds5

About 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 114326282) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID114326282
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(CN)c2)cn1
InChIInChI=1S/C14H16N4O2/c1-20-13-3-2-10(8-17-13)9-18-14(19)11-4-5-16-12(6-11)7-15/h2-6,8H,7,9,15H2,1H3,(H,18,19)
InChIKeyKKHHZQTYTVCJES-UHFFFAOYSA-N
XLogP0.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 62991277
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 62991496

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 114326282) is 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2ccnc(CN)c2)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is KKHHZQTYTVCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-13-3-2-10(8-17-13)9-18-14(19)11-4-5-16-12(6-11)7-15/h2-6,8H,7,9,15H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).