8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide

C23H22N6O2 — CID 134288939

IUPAC8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(OC)nc4)ncn3)cccc12
InChIInChI=1S/C23H22N6O2/c1-24-23(30)18-9-11-26-22-15(4-3-5-17(18)22)8-10-25-20-12-19(28-14-29-20)16-6-7-21(31-2)27-13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,30)(H,25,28,29)
InChIKeyWDARXJNTQQKWPK-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.11
Rot. Bonds7

About 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide

8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide (PubChem CID 134288939) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
PubChem CID134288939
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(OC)nc4)ncn3)cccc12
InChIInChI=1S/C23H22N6O2/c1-24-23(30)18-9-11-26-22-15(4-3-5-17(18)22)8-10-25-20-12-19(28-14-29-20)16-6-7-21(31-2)27-13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,30)(H,25,28,29)
InChIKeyWDARXJNTQQKWPK-UHFFFAOYSA-N
XLogP3.11
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide with MolForge

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Related Compounds

8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289270
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
8-[2-[[6-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428727
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-[4-(cyclopropylcarbamoyl)phenyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289260
N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289183
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-[4-[[6-(5,6-dimethoxy-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
CID 123357830
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
8-[1-[[6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123371223

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide (CID 134288939) is 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide is CNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(OC)nc4)ncn3)cccc12.
What is the InChIKey of 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is WDARXJNTQQKWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-24-23(30)18-9-11-26-22-15(4-3-5-17(18)22)8-10-25-20-12-19(28-14-29-20)16-6-7-21(31-2)27-13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,30)(H,25,28,29).
What are the key properties of 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 134288939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).