5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide

C14H21BrN2O — CID 62953059

IUPAC5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1ccc(Br)cn1)C(C)CC
InChIInChI=1S/C14H21BrN2O/c1-4-6-9-17(11(3)5-2)14(18)13-8-7-12(15)10-16-13/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeySIXSSZWNIJPTJD-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.88
Rot. Bonds6

About 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide

5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide (PubChem CID 62953059) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
PubChem CID62953059
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
SMILESCCCCN(C(=O)c1ccc(Br)cn1)C(C)CC
InChIInChI=1S/C14H21BrN2O/c1-4-6-9-17(11(3)5-2)14(18)13-8-7-12(15)10-16-13/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeySIXSSZWNIJPTJD-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
CID 78954217
2-bromo-N-butan-2-yl-N-butylpyridine-4-carboxamide
CID 103755268
ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
N-butan-2-yl-N-butyl-6-(ethylamino)pyridine-2-carboxamide
CID 62234511
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 59392699
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide (CID 62953059) is 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide is CCCCN(C(=O)c1ccc(Br)cn1)C(C)CC.
What is the InChIKey of 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide?
The InChIKey is SIXSSZWNIJPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-6-9-17(11(3)5-2)14(18)13-8-7-12(15)10-16-13/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide?
5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide is sourced from PubChem (CID 62953059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).