N-(1-bromobutan-2-yl)pyridine-2-carboxamide

C10H13BrN2O — CID 114307782

IUPACN-(1-bromobutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CBr)NC(=O)c1ccccn1
InChIInChI=1S/C10H13BrN2O/c1-2-8(7-11)13-10(14)9-5-3-4-6-12-9/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyDHJMKMKKPYDWAB-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.98
Rot. Bonds4

About N-(1-bromobutan-2-yl)pyridine-2-carboxamide

N-(1-bromobutan-2-yl)pyridine-2-carboxamide (PubChem CID 114307782) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)pyridine-2-carboxamide
PubChem CID114307782
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(1-bromobutan-2-yl)pyridine-2-carboxamide
SMILESCCC(CBr)NC(=O)c1ccccn1
InChIInChI=1S/C10H13BrN2O/c1-2-8(7-11)13-10(14)9-5-3-4-6-12-9/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyDHJMKMKKPYDWAB-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-bromobutan-2-yl)pyridine-2-carboxamide (CID 114307782) is N-(1-bromobutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-bromobutan-2-yl)pyridine-2-carboxamide is CCC(CBr)NC(=O)c1ccccn1.
What is the InChIKey of N-(1-bromobutan-2-yl)pyridine-2-carboxamide?
The InChIKey is DHJMKMKKPYDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-8(7-11)13-10(14)9-5-3-4-6-12-9/h3-6,8H,2,7H2,1H3,(H,13,14).
What are the key properties of N-(1-bromobutan-2-yl)pyridine-2-carboxamide?
N-(1-bromobutan-2-yl)pyridine-2-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114307782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).