N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide

C19H20N6O — CID 11653164

IUPACN-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ncccn1)N1CCN(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H20N6O/c26-19(23-18-20-6-3-7-21-18)25-10-8-24(9-11-25)14-15-12-16-4-1-2-5-17(16)22-13-15/h1-7,12-13H,8-11,14H2,(H,20,21,23,26)
InChIKeyLTHLXOKESAQARZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.37
Rot. Bonds3

About N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide

N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 11653164) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID11653164
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ncccn1)N1CCN(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H20N6O/c26-19(23-18-20-6-3-7-21-18)25-10-8-24(9-11-25)14-15-12-16-4-1-2-5-17(16)22-13-15/h1-7,12-13H,8-11,14H2,(H,20,21,23,26)
InChIKeyLTHLXOKESAQARZ-UHFFFAOYSA-N
XLogP2.37
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide 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

3-[[[4-(quinolin-3-ylmethyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 174534854
N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733892
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975813
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
CID 114203535
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide (CID 11653164) is N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ncccn1)N1CCN(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LTHLXOKESAQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(23-18-20-6-3-7-21-18)25-10-8-24(9-11-25)14-15-12-16-4-1-2-5-17(16)22-13-15/h1-7,12-13H,8-11,14H2,(H,20,21,23,26).
What are the key properties of N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 11653164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).