N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C25H28N4O2 — CID 171556220

IUPACN-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCC[C@@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3c(C3CC3)n2)cn1
InChIInChI=1S/C25H28N4O2/c1-3-4-22(30)21-9-14(2)19(13-26-21)20-10-17-12-27-23(29-25(31)16-7-8-16)11-18(17)24(28-20)15-5-6-15/h9-13,15-16,22,30H,3-8H2,1-2H3,(H,27,29,31)/t22-/m1/s1
InChIKeyJTIXGIBSVVZQRQ-JOCHJYFZSA-N
MW416.53 g/mol
LogP5.06
Rot. Bonds7

About N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 171556220) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID171556220
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCC[C@@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3c(C3CC3)n2)cn1
InChIInChI=1S/C25H28N4O2/c1-3-4-22(30)21-9-14(2)19(13-26-21)20-10-17-12-27-23(29-25(31)16-7-8-16)11-18(17)24(28-20)15-5-6-15/h9-13,15-16,22,30H,3-8H2,1-2H3,(H,27,29,31)/t22-/m1/s1
InChIKeyJTIXGIBSVVZQRQ-JOCHJYFZSA-N
XLogP5.06
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
N-[5-cyclopropyl-7-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenedeca-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide;ethane
CID 171556014
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
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
N-[1-ethenyl-3-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-2-methylimino-1,6-naphthyridin-7-yl]oxetane-3-carboxamide
CID 170968370
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
N-[5-cyclopropyl-7-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555854
N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 171556431
1-[5-(7-amino-2,6-naphthyridin-3-yl)-4-methyl-2-pyridinyl]butan-1-ol
CID 171555917
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
(1R)-N-[2-cyclopropyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205545

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 171556220) is N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is CCC[C@@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4)cc3c(C3CC3)n2)cn1.
What is the InChIKey of N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is JTIXGIBSVVZQRQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-4-22(30)21-9-14(2)19(13-26-21)20-10-17-12-27-23(29-25(31)16-7-8-16)11-18(17)24(28-20)15-5-6-15/h9-13,15-16,22,30H,3-8H2,1-2H3,(H,27,29,31)/t22-/m1/s1.
What are the key properties of N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 416.53 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171556220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).