3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide

C17H17N3O — CID 166204346

IUPAC3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H17N3O/c21-17(19-12-14-5-4-9-18-11-14)20-10-8-16(13-20)15-6-2-1-3-7-15/h1-9,11H,10,12-13H2,(H,19,21)
InChIKeyAYHBAVNYOKEUOM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds3

About 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide

3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 166204346) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID166204346
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(NCc1cccnc1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H17N3O/c21-17(19-12-14-5-4-9-18-11-14)20-10-8-16(13-20)15-6-2-1-3-7-15/h1-9,11H,10,12-13H2,(H,19,21)
InChIKeyAYHBAVNYOKEUOM-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
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4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
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1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
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4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
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CID 99804200

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide (CID 166204346) is 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide is O=C(NCc1cccnc1)N1CC=C(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is AYHBAVNYOKEUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(19-12-14-5-4-9-18-11-14)20-10-8-16(13-20)15-6-2-1-3-7-15/h1-9,11H,10,12-13H2,(H,19,21).
What are the key properties of 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide?
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 166204346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).