4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide

C14H13Cl2N3O2 — CID 146323451

IUPAC4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(=O)n(C3CC3)c2)cc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-18-11(6-10(15)13(18)16)14(21)17-8-2-5-12(20)19(7-8)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,21)
InChIKeyXKWKRXYFOLSTOQ-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.08
Rot. Bonds3

About 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide (PubChem CID 146323451) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
PubChem CID146323451
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(=O)n(C3CC3)c2)cc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-18-11(6-10(15)13(18)16)14(21)17-8-2-5-12(20)19(7-8)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,21)
InChIKeyXKWKRXYFOLSTOQ-UHFFFAOYSA-N
XLogP3.08
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide (CID 146323451) is 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccc(=O)n(C3CC3)c2)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is XKWKRXYFOLSTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-18-11(6-10(15)13(18)16)14(21)17-8-2-5-12(20)19(7-8)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,21).
What are the key properties of 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1-cyclopropyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 146323451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).