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

C26H26N6O2 — CID 134289270

IUPAC8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(OCC5CC5)nc4)ncn3)cccc12
InChIInChI=1S/C26H26N6O2/c1-27-26(33)21-10-12-29-25-18(3-2-4-20(21)25)9-11-28-23-13-22(31-16-32-23)19-7-8-24(30-14-19)34-15-17-5-6-17/h2-4,7-8,10,12-14,16-17H,5-6,9,11,15H2,1H3,(H,27,33)(H,28,31,32)
InChIKeyCVAHVPVCOKBQLC-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.89
Rot. Bonds9

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

8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide (PubChem CID 134289270) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
PubChem CID134289270
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(OCC5CC5)nc4)ncn3)cccc12
InChIInChI=1S/C26H26N6O2/c1-27-26(33)21-10-12-29-25-18(3-2-4-20(21)25)9-11-28-23-13-22(31-16-32-23)19-7-8-24(30-14-19)34-15-17-5-6-17/h2-4,7-8,10,12-14,16-17H,5-6,9,11,15H2,1H3,(H,27,33)(H,28,31,32)
InChIKeyCVAHVPVCOKBQLC-UHFFFAOYSA-N
XLogP3.89
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428727
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-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289174
8-[2-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134289262
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
N-methyl-8-[4-[[6-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 130428549
N-methyl-8-[3-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylsulfanylpropyl]quinoline-4-carboxamide
CID 134289118
8-[(2S)-3-[[6-[6-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-3-pyridinyl]pyrimidin-4-yl]amino]-2-methylpropyl]-N-methylquinoline-4-carboxamide
CID 135217621

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide (CID 134289270) is 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide is CNC(=O)c1ccnc2c(CCNc3cc(-c4ccc(OCC5CC5)nc4)ncn3)cccc12.
What is the InChIKey of 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
The InChIKey is CVAHVPVCOKBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-27-26(33)21-10-12-29-25-18(3-2-4-20(21)25)9-11-28-23-13-22(31-16-32-23)19-7-8-24(30-14-19)34-15-17-5-6-17/h2-4,7-8,10,12-14,16-17H,5-6,9,11,15H2,1H3,(H,27,33)(H,28,31,32).
What are the key properties of 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide?
8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[6-[6-(cyclopropylmethoxy)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 134289270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).