N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

C21H27N5O2 — CID 166434715

IUPACN-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCC(=O)NCC(NC(=O)c1ccnc(N2CCCCC2)n1)c1ccc(C)cc1
InChIInChI=1S/C21H27N5O2/c1-15-6-8-17(9-7-15)19(14-23-16(2)27)24-20(28)18-10-11-22-21(25-18)26-12-4-3-5-13-26/h6-11,19H,3-5,12-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKOUTUKJHUWNWKA-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.38
Rot. Bonds6

About N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 166434715) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID166434715
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCC(=O)NCC(NC(=O)c1ccnc(N2CCCCC2)n1)c1ccc(C)cc1
InChIInChI=1S/C21H27N5O2/c1-15-6-8-17(9-7-15)19(14-23-16(2)27)24-20(28)18-10-11-22-21(25-18)26-12-4-3-5-13-26/h6-11,19H,3-5,12-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKOUTUKJHUWNWKA-UHFFFAOYSA-N
XLogP2.38
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid
CID 3242819
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298970
2-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109302376
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 166434715) is N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is CC(=O)NCC(NC(=O)c1ccnc(N2CCCCC2)n1)c1ccc(C)cc1.
What is the InChIKey of N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KOUTUKJHUWNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-6-8-17(9-7-15)19(14-23-16(2)27)24-20(28)18-10-11-22-21(25-18)26-12-4-3-5-13-26/h6-11,19H,3-5,12-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-1-(4-methylphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166434715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).