N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide

C21H21N7O — CID 134289183

IUPACN-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4ccnn4C)ncn3)cccc12
InChIInChI=1S/C21H21N7O/c1-22-21(29)16-7-10-24-20-14(4-3-5-15(16)20)6-9-23-19-12-17(25-13-26-19)18-8-11-27-28(18)2/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,22,29)(H,23,25,26)
InChIKeyJVWZXMDFWICXPT-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide

N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide (PubChem CID 134289183) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
PubChem CID134289183
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4ccnn4C)ncn3)cccc12
InChIInChI=1S/C21H21N7O/c1-22-21(29)16-7-10-24-20-14(4-3-5-15(16)20)6-9-23-19-12-17(25-13-26-19)18-8-11-27-28(18)2/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,22,29)(H,23,25,26)
InChIKeyJVWZXMDFWICXPT-UHFFFAOYSA-N
XLogP2.44
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-[2-[[6-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428727
8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134288939
8-[2-[[6-[4-(cyclopropylcarbamoyl)phenyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289260
8-[2-[[6-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428802
N-methyl-8-[2-[[6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289217
N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289088
8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289262
8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289270
8-[2-[[6-[2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289174
N-methyl-8-[3-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylsulfanylpropyl]quinoline-4-carboxamide
CID 134289118
N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
CID 156697410
N-methyl-8-[4-[[6-(3,4,5-trifluorophenyl)pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 123449488

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide (CID 134289183) is N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide is CNC(=O)c1ccnc2c(CCNc3cc(-c4ccnn4C)ncn3)cccc12.
What is the InChIKey of N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
The InChIKey is JVWZXMDFWICXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-22-21(29)16-7-10-24-20-14(4-3-5-15(16)20)6-9-23-19-12-17(25-13-26-19)18-8-11-27-28(18)2/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,22,29)(H,23,25,26).
What are the key properties of N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 134289183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).