N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide

C23H30N4O3 — CID 92636501

IUPACN-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCOCC2)nc1C
InChIInChI=1S/C23H30N4O3/c1-16-18(23(28)26-19-7-3-4-9-21(19)29-2)15-24-22(25-16)20-8-5-6-12-27(20)17-10-13-30-14-11-17/h3-4,7,9,15,17,20H,5-6,8,10-14H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyYPYQGRYKXNIROT-FQEVSTJZSA-N
MW410.52 g/mol
LogP3.75
Rot. Bonds5

About N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide

N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92636501) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92636501
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCOCC2)nc1C
InChIInChI=1S/C23H30N4O3/c1-16-18(23(28)26-19-7-3-4-9-21(19)29-2)15-24-22(25-16)20-8-5-6-12-27(20)17-10-13-30-14-11-17/h3-4,7,9,15,17,20H,5-6,8,10-14H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyYPYQGRYKXNIROT-FQEVSTJZSA-N
XLogP3.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636526
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
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636430
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250625
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247400
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637184
N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639521
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640153

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 92636501) is N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCOCC2)nc1C.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is YPYQGRYKXNIROT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-18(23(28)26-19-7-3-4-9-21(19)29-2)15-24-22(25-16)20-8-5-6-12-27(20)17-10-13-30-14-11-17/h3-4,7,9,15,17,20H,5-6,8,10-14H2,1-2H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.75, 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-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92636501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).