5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide

C18H20N4O2 — CID 136515388

IUPAC5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H20N4O2/c19-17(23)16-7-6-15(11-20-16)21-18(24)22-9-8-14(12-22)10-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H2,19,23)(H,21,24)
InChIKeyUUPJYJZBVIWOFK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.28
Rot. Bonds4

About 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide

5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 136515388) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
PubChem CID136515388
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3)C2)cn1
InChIInChI=1S/C18H20N4O2/c19-17(23)16-7-6-15(11-20-16)21-18(24)22-9-8-14(12-22)10-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H2,19,23)(H,21,24)
InChIKeyUUPJYJZBVIWOFK-UHFFFAOYSA-N
XLogP2.28
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 97259812
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 154740147
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823
3-benzyl-N-(3-methylsulfinylphenyl)pyrrolidine-1-carboxamide
CID 71992201
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030

Frequently Asked Questions

What is the IUPAC name of 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide (CID 136515388) is 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3)C2)cn1.
What is the InChIKey of 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is UUPJYJZBVIWOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(23)16-7-6-15(11-20-16)21-18(24)22-9-8-14(12-22)10-13-4-2-1-3-5-13/h1-7,11,14H,8-10,12H2,(H2,19,23)(H,21,24).
What are the key properties of 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide?
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 136515388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).