2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

C18H21N7O — CID 90546184

IUPAC2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC1CCN(c2cc(NC(=O)Cn3nnc4ccccc43)ncn2)CC1
InChIInChI=1S/C18H21N7O/c1-13-6-8-24(9-7-13)17-10-16(19-12-20-17)21-18(26)11-25-15-5-3-2-4-14(15)22-23-25/h2-5,10,12-13H,6-9,11H2,1H3,(H,19,20,21,26)
InChIKeyNQCBLPFRQBJLQN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.10
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90546184) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID90546184
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC1CCN(c2cc(NC(=O)Cn3nnc4ccccc43)ncn2)CC1
InChIInChI=1S/C18H21N7O/c1-13-6-8-24(9-7-13)17-10-16(19-12-20-17)21-18(26)11-25-15-5-3-2-4-14(15)22-23-25/h2-5,10,12-13H,6-9,11H2,1H3,(H,19,20,21,26)
InChIKeyNQCBLPFRQBJLQN-UHFFFAOYSA-N
XLogP2.10
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide
CID 90546153
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546186
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-(4-nitrophenyl)acetamide
CID 90545987
2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546137
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 90546262
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8025550
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (CID 90546184) is 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is CC1CCN(c2cc(NC(=O)Cn3nnc4ccccc43)ncn2)CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is NQCBLPFRQBJLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-6-8-24(9-7-13)17-10-16(19-12-20-17)21-18(26)11-25-15-5-3-2-4-14(15)22-23-25/h2-5,10,12-13H,6-9,11H2,1H3,(H,19,20,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90546184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).