2-bromo-N-butan-2-ylpyridine-4-carboxamide

C10H13BrN2O — CID 103751691

IUPAC2-bromo-N-butan-2-ylpyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-3-7(2)13-10(14)8-4-5-12-9(11)6-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeySFCMDQGKNORHEN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.37
Rot. Bonds3

About 2-bromo-N-butan-2-ylpyridine-4-carboxamide

2-bromo-N-butan-2-ylpyridine-4-carboxamide (PubChem CID 103751691) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-N-butan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-butan-2-ylpyridine-4-carboxamide
PubChem CID103751691
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-N-butan-2-ylpyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-3-7(2)13-10(14)8-4-5-12-9(11)6-8/h4-7H,3H2,1-2H3,(H,13,14)
InChIKeySFCMDQGKNORHEN-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
(2R)-2-[(2-bromopyridine-4-carbonyl)amino]butanoic acid
CID 103804471
2-bromo-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 103772020
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299
(2S)-2-[(2-bromopyridine-4-carbonyl)amino]butanedioic acid
CID 114037388
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 103754324
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-butan-2-ylpyridine-4-carboxamide (CID 103751691) is 2-bromo-N-butan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-butan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-butan-2-ylpyridine-4-carboxamide is CCC(C)NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-butan-2-ylpyridine-4-carboxamide?
The InChIKey is SFCMDQGKNORHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-3-7(2)13-10(14)8-4-5-12-9(11)6-8/h4-7H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-butan-2-ylpyridine-4-carboxamide?
2-bromo-N-butan-2-ylpyridine-4-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 103751691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).