N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide

C24H20N8O2 — CID 134289088

IUPACN-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4cncc(-c5nnco5)c4)ncn3)cccc12
InChIInChI=1S/C24H20N8O2/c1-25-23(33)19-6-8-28-22-15(3-2-4-18(19)22)5-7-27-21-10-20(29-13-30-21)16-9-17(12-26-11-16)24-32-31-14-34-24/h2-4,6,8-14H,5,7H2,1H3,(H,25,33)(H,27,29,30)
InChIKeyIXHPIBOOTJOSDN-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.15
Rot. Bonds7

About N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide

N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide (PubChem CID 134289088) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
PubChem CID134289088
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(CCNc3cc(-c4cncc(-c5nnco5)c4)ncn3)cccc12
InChIInChI=1S/C24H20N8O2/c1-25-23(33)19-6-8-28-22-15(3-2-4-18(19)22)5-7-27-21-10-20(29-13-30-21)16-9-17(12-26-11-16)24-32-31-14-34-24/h2-4,6,8-14H,5,7H2,1H3,(H,25,33)(H,27,29,30)
InChIKeyIXHPIBOOTJOSDN-UHFFFAOYSA-N
XLogP3.15
TPSA131.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

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
N-methyl-8-[2-[[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289183
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-[[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
8-[2-[[6-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428802
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
8-[(2S)-1-[[6-[5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982910
N-methyl-8-[1-[[6-[6-[2-(methylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 130428762

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide (CID 134289088) is N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide is CNC(=O)c1ccnc2c(CCNc3cc(-c4cncc(-c5nnco5)c4)ncn3)cccc12.
What is the InChIKey of N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
The InChIKey is IXHPIBOOTJOSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-25-23(33)19-6-8-28-22-15(3-2-4-18(19)22)5-7-27-21-10-20(29-13-30-21)16-9-17(12-26-11-16)24-32-31-14-34-24/h2-4,6,8-14H,5,7H2,1H3,(H,25,33)(H,27,29,30).
What are the key properties of N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide?
N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-[[6-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 134289088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).