2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide

C13H21N3O — CID 114326347

IUPAC2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O/c1-4-9(2)10(3)16-13(17)11-5-6-15-12(7-11)8-14/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyWGYOVLPITKFACL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds5

About 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide (PubChem CID 114326347) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
PubChem CID114326347
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O/c1-4-9(2)10(3)16-13(17)11-5-6-15-12(7-11)8-14/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17)
InChIKeyWGYOVLPITKFACL-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
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-hex-1-yn-3-ylpyridine-4-carboxamide
CID 106230667
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide (CID 114326347) is 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide is CCC(C)C(C)NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
The InChIKey is WGYOVLPITKFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-9(2)10(3)16-13(17)11-5-6-15-12(7-11)8-14/h5-7,9-10H,4,8,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114326347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).