6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide

C11H12ClN3O — CID 63224800

IUPAC6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-8(6-7-13)15(2)11(16)9-4-3-5-10(12)14-9/h3-5,8H,6H2,1-2H3
InChIKeyQFNFTCMRIOEUHX-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.11
Rot. Bonds3

About 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide

6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide (PubChem CID 63224800) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
PubChem CID63224800
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-8(6-7-13)15(2)11(16)9-4-3-5-10(12)14-9/h3-5,8H,6H2,1-2H3
InChIKeyQFNFTCMRIOEUHX-UHFFFAOYSA-N
XLogP2.11
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
3,6-dichloro-N-[(2S)-1-cyanopropan-2-yl]-N-methylpyridine-2-carboxamide
CID 95034090
N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 55173969
2-(3-chlorophenyl)-N-[(2S)-1-cyanopropan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 95145000
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492
6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
3-[6-[1-cyanopropan-2-yl(methyl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
CID 76988422
N-(1-cyanopropan-2-yl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104641279
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619823
6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981263
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 63221612

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide (CID 63224800) is 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide is CC(CC#N)N(C)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is QFNFTCMRIOEUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8(6-7-13)15(2)11(16)9-4-3-5-10(12)14-9/h3-5,8H,6H2,1-2H3.
What are the key properties of 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide?
6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyanopropan-2-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63224800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).