5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide

C13H14ClN3O2 — CID 146323461

IUPAC5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)n(C)c2)ccc1=O
InChIInChI=1S/C13H14ClN3O2/c1-3-17-8-10(4-5-12(17)18)15-13(19)9-6-11(14)16(2)7-9/h4-8H,3H2,1-2H3,(H,15,19)
InChIKeyYFPYLBLHBBMQAQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.11
Rot. Bonds3

About 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide

5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide (PubChem CID 146323461) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
PubChem CID146323461
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)n(C)c2)ccc1=O
InChIInChI=1S/C13H14ClN3O2/c1-3-17-8-10(4-5-12(17)18)15-13(19)9-6-11(14)16(2)7-9/h4-8H,3H2,1-2H3,(H,15,19)
InChIKeyYFPYLBLHBBMQAQ-UHFFFAOYSA-N
XLogP2.11
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 146323320
N-(1-ethyl-6-oxo-3-pyridinyl)-1,4-dimethylpyrrole-2-carboxamide
CID 153398122
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
4,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 146323464
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
CID 61103547
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzamide
CID 62677966
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 167694658
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 136521739
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-amino-6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 63658779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide (CID 146323461) is 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide is CCn1cc(NC(=O)c2cc(Cl)n(C)c2)ccc1=O.
What is the InChIKey of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is YFPYLBLHBBMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-17-8-10(4-5-12(17)18)15-13(19)9-6-11(14)16(2)7-9/h4-8H,3H2,1-2H3,(H,15,19).
What are the key properties of 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide?
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 146323461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).