N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide

C18H19N3O2 — CID 109080517

IUPACN-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H19N3O2/c22-17(20-13-14-6-2-1-3-7-14)15-8-9-19-16(12-15)18(23)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,22)
InChIKeyAWKPZBXAHHNNRK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.25
Rot. Bonds4

About N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide

N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109080517) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109080517
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C18H19N3O2/c22-17(20-13-14-6-2-1-3-7-14)15-8-9-19-16(12-15)18(23)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,22)
InChIKeyAWKPZBXAHHNNRK-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
N-[(2-methylphenyl)methyl]-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081205
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (CID 109080517) is N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is AWKPZBXAHHNNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(20-13-14-6-2-1-3-7-14)15-8-9-19-16(12-15)18(23)21-10-4-5-11-21/h1-3,6-9,12H,4-5,10-11,13H2,(H,20,22).
What are the key properties of N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109080517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).