N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide

C22H23N5O2 — CID 110253210

IUPACN-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(C2CCN(c3cccnc3)C2)nc1C
InChIInChI=1S/C22H23N5O2/c1-15-18(22(28)26-19-7-3-4-8-20(19)29-2)13-24-21(25-15)16-9-11-27(14-16)17-6-5-10-23-12-17/h3-8,10,12-13,16H,9,11,14H2,1-2H3,(H,26,28)
InChIKeyNHQMOVMIHMLQLD-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.43
Rot. Bonds5

About N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide (PubChem CID 110253210) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide
PubChem CID110253210
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(C2CCN(c3cccnc3)C2)nc1C
InChIInChI=1S/C22H23N5O2/c1-15-18(22(28)26-19-7-3-4-8-20(19)29-2)13-24-21(25-15)16-9-11-27(14-16)17-6-5-10-23-12-17/h3-8,10,12-13,16H,9,11,14H2,1-2H3,(H,26,28)
InChIKeyNHQMOVMIHMLQLD-UHFFFAOYSA-N
XLogP3.43
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636430
N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92640136
N-(2-methoxyphenyl)-4-methyl-2-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250619
2-[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640207
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640153
N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639521
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110250622
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250625
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636493
N-(2-methoxyphenyl)-4-methyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110084558

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide (CID 110253210) is N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(C2CCN(c3cccnc3)C2)nc1C.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide?
The InChIKey is NHQMOVMIHMLQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-18(22(28)26-19-7-3-4-8-20(19)29-2)13-24-21(25-15)16-9-11-27(14-16)17-6-5-10-23-12-17/h3-8,10,12-13,16H,9,11,14H2,1-2H3,(H,26,28).
What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-2-(1-pyridin-3-ylpyrrolidin-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110253210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).