2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

C16H13N3O — CID 16747641

IUPAC2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1
InChIInChI=1S/C16H13N3O/c17-16(20)13-10-14(11-6-8-18-9-7-11)19-15(13)12-4-2-1-3-5-12/h1-10,19H,(H2,17,20)
InChIKeyYWWBPTREUNINAH-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.84
Rot. Bonds3

About 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide

2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 16747641) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID16747641
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1
InChIInChI=1S/C16H13N3O/c17-16(20)13-10-14(11-6-8-18-9-7-11)19-15(13)12-4-2-1-3-5-12/h1-10,19H,(H2,17,20)
InChIKeyYWWBPTREUNINAH-UHFFFAOYSA-N
XLogP2.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide (CID 16747641) is 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is YWWBPTREUNINAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(20)13-10-14(11-6-8-18-9-7-11)19-15(13)12-4-2-1-3-5-12/h1-10,19H,(H2,17,20).
What are the key properties of 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide?
2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 16747641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).