4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide

C10H10ClN3O — CID 81226543

IUPAC4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide
SMILESCC(CC#N)NC(=O)c1cnccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-7(2-4-12)14-10(15)8-6-13-5-3-9(8)11/h3,5-7H,2H2,1H3,(H,14,15)
InChIKeyDZMMZMMTSQLYMX-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.77
Rot. Bonds3

About 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide

4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide (PubChem CID 81226543) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide
PubChem CID81226543
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide
SMILESCC(CC#N)NC(=O)c1cnccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-7(2-4-12)14-10(15)8-6-13-5-3-9(8)11/h3,5-7H,2H2,1H3,(H,14,15)
InChIKeyDZMMZMMTSQLYMX-UHFFFAOYSA-N
XLogP1.77
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81226748
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 81227390
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
CID 75424748
N-(1-cyanopropan-2-yl)-2-nitrobenzamide
CID 62090619
5-(4-chloro-3-pyridinyl)-5-oxopentanenitrile
CID 53427101
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
CID 66462809

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide (CID 81226543) is 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide is CC(CC#N)NC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide?
The InChIKey is DZMMZMMTSQLYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7(2-4-12)14-10(15)8-6-13-5-3-9(8)11/h3,5-7H,2H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide?
4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide has a molecular weight of 223.66 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyanopropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81226543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).