2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide

C23H28N4O3 — CID 110249056

IUPAC2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(C2CCCCN2C(=O)C2CCC2)nc1C
InChIInChI=1S/C23H28N4O3/c1-15-17(22(28)26-18-10-3-4-12-20(18)30-2)14-24-21(25-15)19-11-5-6-13-27(19)23(29)16-8-7-9-16/h3-4,10,12,14,16,19H,5-9,11,13H2,1-2H3,(H,26,28)
InChIKeyJTLBNNHLQCBIDU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.90
Rot. Bonds5

About 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide

2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 110249056) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID110249056
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(C2CCCCN2C(=O)C2CCC2)nc1C
InChIInChI=1S/C23H28N4O3/c1-15-17(22(28)26-18-10-3-4-12-20(18)30-2)14-24-21(25-15)19-11-5-6-13-27(19)23(29)16-8-7-9-16/h3-4,10,12,14,16,19H,5-9,11,13H2,1-2H3,(H,26,28)
InChIKeyJTLBNNHLQCBIDU-UHFFFAOYSA-N
XLogP3.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636430
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(oxan-4-yl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636501
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247400
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637184
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide (CID 110249056) is 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(C2CCCCN2C(=O)C2CCC2)nc1C.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is JTLBNNHLQCBIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-17(22(28)26-18-10-3-4-12-20(18)30-2)14-24-21(25-15)19-11-5-6-13-27(19)23(29)16-8-7-9-16/h3-4,10,12,14,16,19H,5-9,11,13H2,1-2H3,(H,26,28).
What are the key properties of 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide?
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110249056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).