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

C23H32N4O2 — CID 92640366

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCN(CC(C)C)CC2)nc1C
InChIInChI=1S/C23H32N4O2/c1-16(2)15-27-11-9-18(10-12-27)22-24-14-20(17(3)26-22)23(28)25-13-19-7-5-6-8-21(19)29-4/h5-8,14,16,18H,9-13,15H2,1-4H3,(H,25,28)
InChIKeyBFQWYBQIPWKENE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.56
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 92640366) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID92640366
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(C2CCN(CC(C)C)CC2)nc1C
InChIInChI=1S/C23H32N4O2/c1-16(2)15-27-11-9-18(10-12-27)22-24-14-20(17(3)26-22)23(28)25-13-19-7-5-6-8-21(19)29-4/h5-8,14,16,18H,9-13,15H2,1-4H3,(H,25,28)
InChIKeyBFQWYBQIPWKENE-UHFFFAOYSA-N
XLogP3.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
2-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 175659966
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 95805899
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 92640366) is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(C2CCN(CC(C)C)CC2)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is BFQWYBQIPWKENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(2)15-27-11-9-18(10-12-27)22-24-14-20(17(3)26-22)23(28)25-13-19-7-5-6-8-21(19)29-4/h5-8,14,16,18H,9-13,15H2,1-4H3,(H,25,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92640366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).