4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide

C19H17N3O2 — CID 1489198

IUPAC4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Cc1ccccc1)c1c[nH]c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H17N3O2/c23-18(10-14-4-2-1-3-5-14)16-11-17(21-13-16)19(24)22-12-15-6-8-20-9-7-15/h1-9,11,13,21H,10,12H2,(H,22,24)
InChIKeyAFLGCTZYNTXVRR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.77
Rot. Bonds6

About 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide

4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1489198) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1489198
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Cc1ccccc1)c1c[nH]c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H17N3O2/c23-18(10-14-4-2-1-3-5-14)16-11-17(21-13-16)19(24)22-12-15-6-8-20-9-7-15/h1-9,11,13,21H,10,12H2,(H,22,24)
InChIKeyAFLGCTZYNTXVRR-UHFFFAOYSA-N
XLogP2.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1489198) is 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(Cc1ccccc1)c1c[nH]c(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is AFLGCTZYNTXVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(10-14-4-2-1-3-5-14)16-11-17(21-13-16)19(24)22-12-15-6-8-20-9-7-15/h1-9,11,13,21H,10,12H2,(H,22,24).
What are the key properties of 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).