N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide

C18H22N4O — CID 167774268

IUPACN-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCCc1nccc(C)c1NC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C18H22N4O/c1-3-15-17(13(2)8-10-20-15)21-18(23)22-11-5-7-16(22)14-6-4-9-19-12-14/h4,6,8-10,12,16H,3,5,7,11H2,1-2H3,(H,21,23)
InChIKeyAYPRIUSNSNRBRK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.72
Rot. Bonds3

About N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide

N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 167774268) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID167774268
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCCc1nccc(C)c1NC(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C18H22N4O/c1-3-15-17(13(2)8-10-20-15)21-18(23)22-11-5-7-16(22)14-6-4-9-19-12-14/h4,6,8-10,12,16H,3,5,7,11H2,1-2H3,(H,21,23)
InChIKeyAYPRIUSNSNRBRK-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
CID 95339397
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444
(2R)-N-[4-(piperidine-1-carbonyl)thiadiazol-5-yl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 98201542

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide (CID 167774268) is N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide is CCc1nccc(C)c1NC(=O)N1CCCC1c1cccnc1.
What is the InChIKey of N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is AYPRIUSNSNRBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-3-15-17(13(2)8-10-20-15)21-18(23)22-11-5-7-16(22)14-6-4-9-19-12-14/h4,6,8-10,12,16H,3,5,7,11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methyl-3-pyridinyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 167774268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).