N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C18H21N3O — CID 47022403

IUPACN-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C18H21N3O/c1-14-4-6-15(7-5-14)13-20-18(22)21-12-2-3-17(21)16-8-10-19-11-9-16/h4-11,17H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyKVLQSXWTYVOBKL-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.44
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 47022403) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID47022403
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C18H21N3O/c1-14-4-6-15(7-5-14)13-20-18(22)21-12-2-3-17(21)16-8-10-19-11-9-16/h4-11,17H,2-3,12-13H2,1H3,(H,20,22)
InChIKeyKVLQSXWTYVOBKL-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
N-(4-methylphenyl)sulfonyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110874698
N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95604428
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 78889575
1-(4-methylphenyl)-4-(2-pyridin-4-ylpyrrolidin-1-yl)butane-1,4-dione
CID 86920444
5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43048123
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71886556
3-methyl-1-[(4-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071273

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 47022403) is N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC2c2ccncc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is KVLQSXWTYVOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-4-6-15(7-5-14)13-20-18(22)21-12-2-3-17(21)16-8-10-19-11-9-16/h4-11,17H,2-3,12-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 47022403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).