5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide

C22H27N7O — CID 123681740

IUPAC5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC1CCCCC1N(C)c1cnc(C(N)=O)c(Nc2cccc3ncccc23)n1
InChIInChI=1S/C22H27N7O/c1-24-17-8-3-4-11-18(17)29(2)19-13-26-20(21(23)30)22(28-19)27-16-10-5-9-15-14(16)7-6-12-25-15/h5-7,9-10,12-13,17-18,24H,3-4,8,11H2,1-2H3,(H2,23,30)(H,27,28)
InChIKeyVLSPQLMOACCFCO-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.83
Rot. Bonds6

About 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide

5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 123681740) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide
PubChem CID123681740
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC1CCCCC1N(C)c1cnc(C(N)=O)c(Nc2cccc3ncccc23)n1
InChIInChI=1S/C22H27N7O/c1-24-17-8-3-4-11-18(17)29(2)19-13-26-20(21(23)30)22(28-19)27-16-10-5-9-15-14(16)7-6-12-25-15/h5-7,9-10,12-13,17-18,24H,3-4,8,11H2,1-2H3,(H2,23,30)(H,27,28)
InChIKeyVLSPQLMOACCFCO-UHFFFAOYSA-N
XLogP2.83
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-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-methyl-2-quinolin-5-ylcyclohexan-1-amine
CID 81224622
5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
CID 129192285
5-[cyclohexyl(methyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161207759
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
cis-(1S,2R)-2-N-methyl-2-N-(3-quinolin-5-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)cyclohexane-1,2-diamine
CID 138513889
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 72705994
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918
2-N,5-dimethyl-4-N-quinolin-5-ylpyrimidine-2,4-diamine
CID 80759868
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
CID 123644186
4-[(5-methoxy-3-pyridinyl)amino]-2-[methyl-[2-(methylamino)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 123207972

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide (CID 123681740) is 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide is CNC1CCCCC1N(C)c1cnc(C(N)=O)c(Nc2cccc3ncccc23)n1.
What is the InChIKey of 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is VLSPQLMOACCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-24-17-8-3-4-11-18(17)29(2)19-13-26-20(21(23)30)22(28-19)27-16-10-5-9-15-14(16)7-6-12-25-15/h5-7,9-10,12-13,17-18,24H,3-4,8,11H2,1-2H3,(H2,23,30)(H,27,28).
What are the key properties of 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide?
5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(methylamino)cyclohexyl]amino]-3-(quinolin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 123681740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).