(2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide

C24H24F2N4O3 — CID 24783892

IUPAC(2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)CO3)c2n1
InChIInChI=1S/C24H24F2N4O3/c1-32-22-9-7-19-23(30-22)20(10-12-28-19)29-24(31)21-8-5-17(14-33-21)27-11-2-3-15-13-16(25)4-6-18(15)26/h2-4,6-7,9-10,12-13,17,21,27H,5,8,11,14H2,1H3,(H,28,29,31)/b3-2+/t17-,21+/m1/s1
InChIKeyKXPGXYTUOLZDMH-TZFAZWETSA-N
MW454.48 g/mol
LogP3.71
Rot. Bonds7

About (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide

(2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide (PubChem CID 24783892) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
PubChem CID24783892
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name(2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)CO3)c2n1
InChIInChI=1S/C24H24F2N4O3/c1-32-22-9-7-19-23(30-22)20(10-12-28-19)29-24(31)21-8-5-17(14-33-21)27-11-2-3-15-13-16(25)4-6-18(15)26/h2-4,6-7,9-10,12-13,17,21,27H,5,8,11,14H2,1H3,(H,28,29,31)/b3-2+/t17-,21+/m1/s1
InChIKeyKXPGXYTUOLZDMH-TZFAZWETSA-N
XLogP3.71
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide with MolForge

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Related Compounds

(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
CID 11698127
8-fluoro-6-[[[(3S,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 44529726
4-[(4-fluoro-1H-indol-2-yl)methylamino]-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 44529925
N-(3,5-difluorophenyl)-2-[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]acetamide;oxalic acid
CID 44535067
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 91800757
6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
CID 122196397
NBTIs-IN-5
CID 163408985
N-(6-Methoxy-1,5-naphthyridin-4-yl)-1-(4-(trifluoromethyl)phenethyl)piperidine-4-carboxamide
CID 163408986
N-[(2,3-difluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164623699
N-[(3-fluoro-4-iodophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 164626715
1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 166627743
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 166629452

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
The IUPAC name of (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide (CID 24783892) is (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide is COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)CO3)c2n1.
What is the InChIKey of (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
The InChIKey is KXPGXYTUOLZDMH-TZFAZWETSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-32-22-9-7-19-23(30-22)20(10-12-28-19)29-24(31)21-8-5-17(14-33-21)27-11-2-3-15-13-16(25)4-6-18(15)26/h2-4,6-7,9-10,12-13,17,21,27H,5,8,11,14H2,1H3,(H,28,29,31)/b3-2+/t17-,21+/m1/s1.
What are the key properties of (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
(2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide is sourced from PubChem (CID 24783892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).