N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide

C25H29N5O3 — CID 170968370

IUPACN-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide
SMILESC=Cn1/c(=N\C)c(-c2cnc(C(O)CCC)cc2C)cc2cnc(NC(=O)C3COC3)cc21
InChIInChI=1S/C25H29N5O3/c1-5-7-22(31)20-8-15(3)19(12-27-20)18-9-16-11-28-23(29-25(32)17-13-33-14-17)10-21(16)30(6-2)24(18)26-4/h6,8-12,17,22,31H,2,5,7,13-14H2,1,3-4H3,(H,28,29,32)/b26-24-
InChIKeyAWHIRDAZBKJNJI-LCUIJRPUSA-N
MW447.54 g/mol
LogP3.46
Rot. Bonds7

About N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide

N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide (PubChem CID 170968370) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide
PubChem CID170968370
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide
SMILESC=Cn1/c(=N\C)c(-c2cnc(C(O)CCC)cc2C)cc2cnc(NC(=O)C3COC3)cc21
InChIInChI=1S/C25H29N5O3/c1-5-7-22(31)20-8-15(3)19(12-27-20)18-9-16-11-28-23(29-25(32)17-13-33-14-17)10-21(16)30(6-2)24(18)26-4/h6,8-12,17,22,31H,2,5,7,13-14H2,1,3-4H3,(H,28,29,32)/b26-24-
InChIKeyAWHIRDAZBKJNJI-LCUIJRPUSA-N
XLogP3.46
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1S,2S)-2-fluoro-N-[4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170968422
cis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997951
cis-(1R,2R)-N-[1-cyano-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 174205794
N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556220
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1S)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555797
1-[5-(7-amino-1-ethenyl-2-methylimino-1,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-one
CID 170968343
N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 171556431
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
cis-(1R,2R)-N-[3-[6-[(1R)-1-deuterio-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556491
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555547
cis-(1R,2R)-N-[4-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997980
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1R)-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967865

Frequently Asked Questions

What is the IUPAC name of N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide?
The IUPAC name of N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide (CID 170968370) is N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide.
What is the SMILES notation for N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide?
The canonical SMILES for N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide is C=Cn1/c(=N\C)c(-c2cnc(C(O)CCC)cc2C)cc2cnc(NC(=O)C3COC3)cc21.
What is the InChIKey of N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide?
The InChIKey is AWHIRDAZBKJNJI-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-5-7-22(31)20-8-15(3)19(12-27-20)18-9-16-11-28-23(29-25(32)17-13-33-14-17)10-21(16)30(6-2)24(18)26-4/h6,8-12,17,22,31H,2,5,7,13-14H2,1,3-4H3,(H,28,29,32)/b26-24-.
What are the key properties of N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide?
N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide is sourced from PubChem (CID 170968370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).