3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide

C12H12BrN3O — CID 107517439

IUPAC3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1ncccc1Br)C1CC1
InChIInChI=1S/C12H12BrN3O/c13-10-3-1-7-15-11(10)12(17)16(8-2-6-14)9-4-5-9/h1,3,7,9H,2,4-5,8H2
InChIKeyVWYYMTPNXAMCHU-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.36
Rot. Bonds4

About 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide

3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide (PubChem CID 107517439) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
PubChem CID107517439
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1ncccc1Br)C1CC1
InChIInChI=1S/C12H12BrN3O/c13-10-3-1-7-15-11(10)12(17)16(8-2-6-14)9-4-5-9/h1,3,7,9H,2,4-5,8H2
InChIKeyVWYYMTPNXAMCHU-UHFFFAOYSA-N
XLogP2.36
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521891
3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 107518153
3-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 107520178
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide
CID 61042455
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide (CID 107517439) is 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide is N#CCCN(C(=O)c1ncccc1Br)C1CC1.
What is the InChIKey of 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is VWYYMTPNXAMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-3-1-7-15-11(10)12(17)16(8-2-6-14)9-4-5-9/h1,3,7,9H,2,4-5,8H2.
What are the key properties of 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 107517439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).