2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide

C17H21N3O — CID 114325764

IUPAC2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C17H21N3O/c1-3-12(2)13-4-6-15(7-5-13)20-17(21)14-8-9-19-16(10-14)11-18/h4-10,12H,3,11,18H2,1-2H3,(H,20,21)
InChIKeyDPWBIVKYQKBECK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.31
Rot. Bonds5

About 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 114325764) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID114325764
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C17H21N3O/c1-3-12(2)13-4-6-15(7-5-13)20-17(21)14-8-9-19-16(10-14)11-18/h4-10,12H,3,11,18H2,1-2H3,(H,20,21)
InChIKeyDPWBIVKYQKBECK-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide (CID 114325764) is 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide is CCC(C)c1ccc(NC(=O)c2ccnc(CN)c2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is DPWBIVKYQKBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-12(2)13-4-6-15(7-5-13)20-17(21)14-8-9-19-16(10-14)11-18/h4-10,12H,3,11,18H2,1-2H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).