N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

C22H21N5O2 — CID 131900400

IUPACN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C22H21N5O2/c1-15-12-16(22(29)27-10-4-5-11-27)7-8-18(15)26-21(28)17-13-24-20(25-14-17)19-6-2-3-9-23-19/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,26,28)
InChIKeyFBGDTNKRYDFYSY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.34
Rot. Bonds4

About N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 131900400) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID131900400
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C22H21N5O2/c1-15-12-16(22(29)27-10-4-5-11-27)7-8-18(15)26-21(28)17-13-24-20(25-14-17)19-6-2-3-9-23-19/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,26,28)
InChIKeyFBGDTNKRYDFYSY-UHFFFAOYSA-N
XLogP3.34
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-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

4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71880545
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
CID 131935889
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
3-chloro-N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]benzamide
CID 23885173
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 131900400) is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cnc(-c2ccccn2)nc1.
What is the InChIKey of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is FBGDTNKRYDFYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-12-16(22(29)27-10-4-5-11-27)7-8-18(15)26-21(28)17-13-24-20(25-14-17)19-6-2-3-9-23-19/h2-3,6-9,12-14H,4-5,10-11H2,1H3,(H,26,28).
What are the key properties of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 131900400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).