4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide

C13H14ClN3O2 — CID 18119524

IUPAC4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)c[nH]2)c(=O)[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-7-3-8(2)17-12(18)10(7)6-16-13(19)11-4-9(14)5-15-11/h3-5,15H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKDKOCQKQWZKLPJ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.90
Rot. Bonds3

About 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 18119524) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID18119524
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)c[nH]2)c(=O)[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-7-3-8(2)17-12(18)10(7)6-16-13(19)11-4-9(14)5-15-11/h3-5,15H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKDKOCQKQWZKLPJ-UHFFFAOYSA-N
XLogP1.90
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide (CID 18119524) is 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(Cl)c[nH]2)c(=O)[nH]1.
What is the InChIKey of 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KDKOCQKQWZKLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-7-3-8(2)17-12(18)10(7)6-16-13(19)11-4-9(14)5-15-11/h3-5,15H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18119524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).