1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide

C20H21N5O — CID 75479378

IUPAC1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ncccn3)CC2)nc2ccccc12
InChIInChI=1S/C20H21N5O/c1-14-13-18(23-17-6-3-2-5-16(14)17)25-11-7-15(8-12-25)19(26)24-20-21-9-4-10-22-20/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,21,22,24,26)
InChIKeyYALASVUTDXGECN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479378) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479378
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ncccn3)CC2)nc2ccccc12
InChIInChI=1S/C20H21N5O/c1-14-13-18(23-17-6-3-2-5-16(14)17)25-11-7-15(8-12-25)19(26)24-20-21-9-4-10-22-20/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,21,22,24,26)
InChIKeyYALASVUTDXGECN-UHFFFAOYSA-N
XLogP3.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
CID 171701055
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875988
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
CID 134017909
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
N-methyl-N-[1-(4-methylquinolin-2-yl)piperidin-4-yl]morpholine-4-carboxamide
CID 172892839

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479378) is 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)Nc3ncccn3)CC2)nc2ccccc12.
What is the InChIKey of 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is YALASVUTDXGECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-13-18(23-17-6-3-2-5-16(14)17)25-11-7-15(8-12-25)19(26)24-20-21-9-4-10-22-20/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,21,22,24,26).
What are the key properties of 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).