2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide

C10H10BrN3O — CID 103755069

IUPAC2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
SMILESCCC(C#N)NC(=O)c1cccnc1Br
InChIInChI=1S/C10H10BrN3O/c1-2-7(6-12)14-10(15)8-4-3-5-13-9(8)11/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyKGEXLISWYBZMFA-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.88
Rot. Bonds3

About 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide

2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide (PubChem CID 103755069) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
PubChem CID103755069
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
SMILESCCC(C#N)NC(=O)c1cccnc1Br
InChIInChI=1S/C10H10BrN3O/c1-2-7(6-12)14-10(15)8-4-3-5-13-9(8)11/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyKGEXLISWYBZMFA-UHFFFAOYSA-N
XLogP1.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-carboxamide
CID 103751829
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
N-(1-cyanopropyl)-2,3-difluoropyridine-4-carboxamide
CID 103337419
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
CID 103755271
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide (CID 103755069) is 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide is CCC(C#N)NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide?
The InChIKey is KGEXLISWYBZMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-2-7(6-12)14-10(15)8-4-3-5-13-9(8)11/h3-5,7H,2H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide?
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide has a molecular weight of 268.11 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 103755069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).