N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide

C22H25N5O — CID 166244775

IUPACN-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)N(C)Cc3cccc4ncccc34)n2)CC1
InChIInChI=1S/C22H25N5O/c1-25-12-14-27(15-13-25)21-10-4-9-20(24-21)22(28)26(2)16-17-6-3-8-19-18(17)7-5-11-23-19/h3-11H,12-16H2,1-2H3
InChIKeyFLRJHOAMGQSADU-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide

N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 166244775) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
PubChem CID166244775
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)N(C)Cc3cccc4ncccc34)n2)CC1
InChIInChI=1S/C22H25N5O/c1-25-12-14-27(15-13-25)21-10-4-9-20(24-21)22(28)26(2)16-17-6-3-8-19-18(17)7-5-11-23-19/h3-11H,12-16H2,1-2H3
InChIKeyFLRJHOAMGQSADU-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46964855
5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide
CID 56889219
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 56755377
N-methyl-N-(quinolin-5-ylmethyl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 70727747
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
3-N-methyl-5-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-3-N-(quinolin-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 28786533
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide (CID 166244775) is N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide is CN1CCN(c2cccc(C(=O)N(C)Cc3cccc4ncccc34)n2)CC1.
What is the InChIKey of N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FLRJHOAMGQSADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-25-12-14-27(15-13-25)21-10-4-9-20(24-21)22(28)26(2)16-17-6-3-8-19-18(17)7-5-11-23-19/h3-11H,12-16H2,1-2H3.
What are the key properties of N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide?
N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166244775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).