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

C18H19N3O2 — CID 109080395

IUPACN-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C18H19N3O2/c1-13-6-2-3-7-15(13)20-17(22)16-12-14(8-9-19-16)18(23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyYBHFALYIEMANNE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.88
Rot. Bonds3

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

N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080395) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080395
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C18H19N3O2/c1-13-6-2-3-7-15(13)20-17(22)16-12-14(8-9-19-16)18(23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyYBHFALYIEMANNE-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080380
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
N-(5-methyl-1,2-oxazol-3-yl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080499
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(2-chloro-4,6-dimethylphenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081130

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080395) is N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is YBHFALYIEMANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-2-3-7-15(13)20-17(22)16-12-14(8-9-19-16)18(23)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).