4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide

C11H12ClN3O — CID 61053221

IUPAC4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H12ClN3O/c1-8(6-13)7-15(2)11(16)10-5-9(12)3-4-14-10/h3-5,8H,7H2,1-2H3
InChIKeyXJAQFEVAXRFMTE-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide

4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide (PubChem CID 61053221) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
PubChem CID61053221
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H12ClN3O/c1-8(6-13)7-15(2)11(16)10-5-9(12)3-4-14-10/h3-5,8H,7H2,1-2H3
InChIKeyXJAQFEVAXRFMTE-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide (CID 61053221) is 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide is CC(C#N)CN(C)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is XJAQFEVAXRFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8(6-13)7-15(2)11(16)10-5-9(12)3-4-14-10/h3-5,8H,7H2,1-2H3.
What are the key properties of 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide?
4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 61053221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).