N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide

C25H33N5O2 — CID 110085118

IUPACN-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2CC(=O)NC2CCCCC2)n1
InChIInChI=1S/C25H33N5O2/c1-18-26-16-21(25(32)27-15-19-9-4-2-5-10-19)24(28-18)22-13-8-14-30(22)17-23(31)29-20-11-6-3-7-12-20/h2,4-5,9-10,16,20,22H,3,6-8,11-15,17H2,1H3,(H,27,32)(H,29,31)
InChIKeyWGIKAOKLBWPQFH-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.30
Rot. Bonds7

About N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide

N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 110085118) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID110085118
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2CC(=O)NC2CCCCC2)n1
InChIInChI=1S/C25H33N5O2/c1-18-26-16-21(25(32)27-15-19-9-4-2-5-10-19)24(28-18)22-13-8-14-30(22)17-23(31)29-20-11-6-3-7-12-20/h2,4-5,9-10,16,20,22H,3,6-8,11-15,17H2,1H3,(H,27,32)(H,29,31)
InChIKeyWGIKAOKLBWPQFH-UHFFFAOYSA-N
XLogP3.30
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640575
4-[1-(2-aminopyridine-3-carbonyl)pyrrolidin-2-yl]-N-benzyl-2-methylpyrimidine-5-carboxamide
CID 110085093
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640580
N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 132767196
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361212
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 26608344
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide (CID 110085118) is N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccccc2)c(C2CCCN2CC(=O)NC2CCCCC2)n1.
What is the InChIKey of N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is WGIKAOKLBWPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18-26-16-21(25(32)27-15-19-9-4-2-5-10-19)24(28-18)22-13-8-14-30(22)17-23(31)29-20-11-6-3-7-12-20/h2,4-5,9-10,16,20,22H,3,6-8,11-15,17H2,1H3,(H,27,32)(H,29,31).
What are the key properties of N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide?
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110085118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).