2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide

C23H22N6O — CID 109372303

IUPAC2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3cccnc23)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H22N6O/c1-16-26-20(15-21(27-16)29(2)14-10-17-8-12-24-13-9-17)23(30)28-19-7-3-5-18-6-4-11-25-22(18)19/h3-9,11-13,15H,10,14H2,1-2H3,(H,28,30)
InChIKeyLPUTWORGLUYJBK-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.66
Rot. Bonds6

About 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide

2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109372303) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109372303
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3cccnc23)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H22N6O/c1-16-26-20(15-21(27-16)29(2)14-10-17-8-12-24-13-9-17)23(30)28-19-7-3-5-18-6-4-11-25-22(18)19/h3-9,11-13,15H,10,14H2,1-2H3,(H,28,30)
InChIKeyLPUTWORGLUYJBK-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
N-(2-methoxyphenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372292
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372286
N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109372367
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109370147
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109372303) is 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc3cccnc23)cc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is LPUTWORGLUYJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-26-20(15-21(27-16)29(2)14-10-17-8-12-24-13-9-17)23(30)28-19-7-3-5-18-6-4-11-25-22(18)19/h3-9,11-13,15H,10,14H2,1-2H3,(H,28,30).
What are the key properties of 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).