N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

C23H22N6O — CID 109372367

IUPACN,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc3cccnc23)cc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H22N6O/c1-16-26-20(23(30)29(2)14-10-17-8-12-24-13-9-17)15-21(27-16)28-19-7-3-5-18-6-4-11-25-22(18)19/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27,28)
InChIKeyHPSFIXWRXCVNQL-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.79
Rot. Bonds6

About N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide

N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (PubChem CID 109372367) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
PubChem CID109372367
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc3cccnc23)cc(C(=O)N(C)CCc2ccncc2)n1
InChIInChI=1S/C23H22N6O/c1-16-26-20(23(30)29(2)14-10-17-8-12-24-13-9-17)15-21(27-16)28-19-7-3-5-18-6-4-11-25-22(18)19/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27,28)
InChIKeyHPSFIXWRXCVNQL-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
6-(3,4-difluoroanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372375
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109372303
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122689
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
N,6-dimethyl-2-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331248
6-(2,3-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372331
6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112877598

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide (CID 109372367) is N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is Cc1nc(Nc2cccc3cccnc23)cc(C(=O)N(C)CCc2ccncc2)n1.
What is the InChIKey of N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HPSFIXWRXCVNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-26-20(23(30)29(2)14-10-17-8-12-24-13-9-17)15-21(27-16)28-19-7-3-5-18-6-4-11-25-22(18)19/h3-9,11-13,15H,10,14H2,1-2H3,(H,26,27,28).
What are the key properties of N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide?
N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-pyridin-4-ylethyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).