6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide

C12H13ClN4O — CID 55041760

IUPAC6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1nc(N)ccc1Cl)C1CC1
InChIInChI=1S/C12H13ClN4O/c13-9-4-5-10(15)16-11(9)12(18)17(7-1-6-14)8-2-3-8/h4-5,8H,1-3,7H2,(H2,15,16)
InChIKeyBQRVQSQBBHUIQP-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.84
Rot. Bonds4

About 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide

6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide (PubChem CID 55041760) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
PubChem CID55041760
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1nc(N)ccc1Cl)C1CC1
InChIInChI=1S/C12H13ClN4O/c13-9-4-5-10(15)16-11(9)12(18)17(7-1-6-14)8-2-3-8/h4-5,8H,1-3,7H2,(H2,15,16)
InChIKeyBQRVQSQBBHUIQP-UHFFFAOYSA-N
XLogP1.84
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-(methylamino)pyridine-2-carboxamide
CID 62175803
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
CID 2807201
2,4-diamino-N-(2-cyanoethyl)-N-cyclopropylbenzamide
CID 61126513
2-chloro-N-(2-cyanoethyl)-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 114219509
3,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 54984139
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034385
5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 61127110
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide (CID 55041760) is 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide is N#CCCN(C(=O)c1nc(N)ccc1Cl)C1CC1.
What is the InChIKey of 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is BQRVQSQBBHUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-9-4-5-10(15)16-11(9)12(18)17(7-1-6-14)8-2-3-8/h4-5,8H,1-3,7H2,(H2,15,16).
What are the key properties of 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide?
6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 55041760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).