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

C19H21N3O2 — CID 109080522

IUPACN-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H21N3O2/c1-21(14-15-7-3-2-4-8-15)18(23)16-9-10-20-17(13-16)19(24)22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyGKUXPRHZKCJPOO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.59
Rot. Bonds4

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

N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109080522) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109080522
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H21N3O2/c1-21(14-15-7-3-2-4-8-15)18(23)16-9-10-20-17(13-16)19(24)22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14H2,1H3
InChIKeyGKUXPRHZKCJPOO-UHFFFAOYSA-N
XLogP2.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
4-(azepane-1-carbonyl)-N-benzyl-N-ethylpyridine-2-carboxamide
CID 109087072
N-benzyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080517
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide
CID 178152323
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730122
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide (CID 109080522) is N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is GKUXPRHZKCJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(14-15-7-3-2-4-8-15)18(23)16-9-10-20-17(13-16)19(24)22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide?
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109080522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).