N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

C22H24N6O3 — CID 92640166

IUPACN-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4ccnn4C)C3)nc2C)cc1
InChIInChI=1S/C22H24N6O3/c1-14-18(21(29)26-16-4-6-17(31-3)7-5-16)12-23-20(25-14)15-9-11-28(13-15)22(30)19-8-10-24-27(19)2/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,26,29)/t15-/m1/s1
InChIKeyLTDNTNMRUGKOKM-OAHLLOKOSA-N
MW420.47 g/mol
LogP2.41
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide

N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 92640166) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
PubChem CID92640166
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4ccnn4C)C3)nc2C)cc1
InChIInChI=1S/C22H24N6O3/c1-14-18(21(29)26-16-4-6-17(31-3)7-5-16)12-23-20(25-14)15-9-11-28(13-15)22(30)19-8-10-24-27(19)2/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,26,29)/t15-/m1/s1
InChIKeyLTDNTNMRUGKOKM-OAHLLOKOSA-N
XLogP2.41
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-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

2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640165
N-(4-methoxyphenyl)-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250655
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639767
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110088656
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806063
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
CID 92639790
N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
CID 175662336

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 92640166) is N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4ccnn4C)C3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is LTDNTNMRUGKOKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-14-18(21(29)26-16-4-6-17(31-3)7-5-16)12-23-20(25-14)15-9-11-28(13-15)22(30)19-8-10-24-27(19)2/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,26,29)/t15-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).