N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

C24H23N5O — CID 109268108

IUPACN-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C24H23N5O/c1-3-16-8-5-9-17(4-2)21(16)29-23(30)19-14-26-24(27-15-19)28-20-12-6-10-18-11-7-13-25-22(18)20/h5-15H,3-4H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyYTJAUWBBAGODJW-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.15
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide

N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (PubChem CID 109268108) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
PubChem CID109268108
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(Nc2cccc3cccnc23)nc1
InChIInChI=1S/C24H23N5O/c1-3-16-8-5-9-17(4-2)21(16)29-23(30)19-14-26-24(27-15-19)28-20-12-6-10-18-11-7-13-25-22(18)20/h5-15H,3-4H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyYTJAUWBBAGODJW-UHFFFAOYSA-N
XLogP5.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109255647
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486
N-(3,4-difluorophenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109270508
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
CID 132526899
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
2-(3-methylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109265647

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide (CID 109268108) is N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(Nc2cccc3cccnc23)nc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
The InChIKey is YTJAUWBBAGODJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-3-16-8-5-9-17(4-2)21(16)29-23(30)19-14-26-24(27-15-19)28-20-12-6-10-18-11-7-13-25-22(18)20/h5-15H,3-4H2,1-2H3,(H,29,30)(H,26,27,28).
What are the key properties of N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide?
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).