N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide

C21H23N5O2 — CID 167780078

IUPACN-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3[nH]c(=O)ccc3c2)nc1
InChIInChI=1S/C21H23N5O2/c1-26(13-14-6-8-22-9-7-14)21(28)17-11-23-20(24-12-17)16-2-4-18-15(10-16)3-5-19(27)25-18/h2-5,10-12,14,22H,6-9,13H2,1H3,(H,25,27)
InChIKeyMQUKFULMUBNZGI-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide

N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 167780078) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID167780078
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3[nH]c(=O)ccc3c2)nc1
InChIInChI=1S/C21H23N5O2/c1-26(13-14-6-8-22-9-7-14)21(28)17-11-23-20(24-12-17)16-2-4-18-15(10-16)3-5-19(27)25-18/h2-5,10-12,14,22H,6-9,13H2,1H3,(H,25,27)
InChIKeyMQUKFULMUBNZGI-UHFFFAOYSA-N
XLogP2.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide (CID 167780078) is N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide is CN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3[nH]c(=O)ccc3c2)nc1.
What is the InChIKey of N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is MQUKFULMUBNZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26(13-14-6-8-22-9-7-14)21(28)17-11-23-20(24-12-17)16-2-4-18-15(10-16)3-5-19(27)25-18/h2-5,10-12,14,22H,6-9,13H2,1H3,(H,25,27).
What are the key properties of N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide?
N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxo-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 167780078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).