N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

C19H21N3O2 — CID 109102567

IUPACN-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C19H21N3O2/c1-13-7-14(2)9-17(8-13)21-18(23)15-10-16(12-20-11-15)19(24)22-5-3-4-6-22/h7-12H,3-6H2,1-2H3,(H,21,23)
InChIKeyWGSOVBZUMFWVRP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.19
Rot. Bonds3

About N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102567) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102567
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C19H21N3O2/c1-13-7-14(2)9-17(8-13)21-18(23)15-10-16(12-20-11-15)19(24)22-5-3-4-6-22/h7-12H,3-6H2,1-2H3,(H,21,23)
InChIKeyWGSOVBZUMFWVRP-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 109107702
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109103807
5-N-cycloheptyl-3-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109107035
N-(2,6-diethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102577

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (CID 109102567) is N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is WGSOVBZUMFWVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-7-14(2)9-17(8-13)21-18(23)15-10-16(12-20-11-15)19(24)22-5-3-4-6-22/h7-12H,3-6H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).