2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide

C12H19N3O2 — CID 113277873

IUPAC2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
SMILESCOCCC(C)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H19N3O2/c1-9(4-6-17-2)15-12(16)10-3-5-14-11(7-10)8-13/h3,5,7,9H,4,6,8,13H2,1-2H3,(H,15,16)
InChIKeyVARHPEZEAMILJF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds6

About 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide (PubChem CID 113277873) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
PubChem CID113277873
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
SMILESCOCCC(C)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H19N3O2/c1-9(4-6-17-2)15-12(16)10-3-5-14-11(7-10)8-13/h3,5,7,9H,4,6,8,13H2,1-2H3,(H,15,16)
InChIKeyVARHPEZEAMILJF-UHFFFAOYSA-N
XLogP0.70
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241
2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide
CID 106230667
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
CID 178032891
CID 178032891

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide (CID 113277873) is 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide is COCCC(C)NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide?
The InChIKey is VARHPEZEAMILJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(4-6-17-2)15-12(16)10-3-5-14-11(7-10)8-13/h3,5,7,9H,4,6,8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113277873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).