N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide

C23H22N6O — CID 29028112

IUPACN-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cnc(CNc2ccc(C(=O)N(C)Cc3ccc4ccccc4n3)cn2)cn1
InChIInChI=1S/C23H22N6O/c1-16-11-25-20(13-24-16)14-27-22-10-8-18(12-26-22)23(30)29(2)15-19-9-7-17-5-3-4-6-21(17)28-19/h3-13H,14-15H2,1-2H3,(H,26,27)
InChIKeyREOXEXXFZWTUFN-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide

N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 29028112) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID29028112
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cnc(CNc2ccc(C(=O)N(C)Cc3ccc4ccccc4n3)cn2)cn1
InChIInChI=1S/C23H22N6O/c1-16-11-25-20(13-24-16)14-27-22-10-8-18(12-26-22)23(30)29(2)15-19-9-7-17-5-3-4-6-21(17)28-19/h3-13H,14-15H2,1-2H3,(H,26,27)
InChIKeyREOXEXXFZWTUFN-UHFFFAOYSA-N
XLogP3.61
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 78955998
N-[(5-methylpyrazin-2-yl)methyl]quinoxalin-2-amine
CID 62846299
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
CID 72878914
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N,2,7-trimethyl-N-(quinolin-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 42796821
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide (CID 29028112) is N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide is Cc1cnc(CNc2ccc(C(=O)N(C)Cc3ccc4ccccc4n3)cn2)cn1.
What is the InChIKey of N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is REOXEXXFZWTUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-11-25-20(13-24-16)14-27-22-10-8-18(12-26-22)23(30)29(2)15-19-9-7-17-5-3-4-6-21(17)28-19/h3-13H,14-15H2,1-2H3,(H,26,27).
What are the key properties of N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide?
N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methylpyrazin-2-yl)methylamino]-N-(quinolin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 29028112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).