1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide

C12H13ClN4O — CID 107057278

IUPAC1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nccc(C#N)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-15-12(18)9-3-2-6-17(9)11-10(13)8(7-14)4-5-16-11/h4-5,9H,2-3,6H2,1H3,(H,15,18)
InChIKeyDHABACZYTGGUND-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide

1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 107057278) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID107057278
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nccc(C#N)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-15-12(18)9-3-2-6-17(9)11-10(13)8(7-14)4-5-16-11/h4-5,9H,2-3,6H2,1H3,(H,15,18)
InChIKeyDHABACZYTGGUND-UHFFFAOYSA-N
XLogP1.32
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide (CID 107057278) is 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nccc(C#N)c1Cl.
What is the InChIKey of 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DHABACZYTGGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-15-12(18)9-3-2-6-17(9)11-10(13)8(7-14)4-5-16-11/h4-5,9H,2-3,6H2,1H3,(H,15,18).
What are the key properties of 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide?
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107057278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).