1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C25H28FN5O5 — CID 143931861

IUPAC1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(CC3C=CC(F)=CC3)cc2n(C[C@H](O)C(=O)NCC(C)(C)C#N)c1=O
InChIInChI=1S/C25H28FN5O5/c1-25(2,12-27)13-30-22(34)18(32)11-31-17-9-15(8-14-4-6-16(26)7-5-14)10-29-20(17)21(33)19(24(31)36)23(35)28-3/h4,6-7,9-10,14,18,32-33H,5,8,11,13H2,1-3H3,(H,28,35)(H,30,34)/t14?,18-/m0/s1
InChIKeyDWUOFKWTGAPTNT-IBYPIGCZSA-N
MW497.53 g/mol
LogP1.46
Rot. Bonds8

About 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 143931861) has the molecular formula C25H28FN5O5 and a molecular weight of 497.53 g/mol. Its IUPAC name is 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID143931861
Molecular FormulaC25H28FN5O5
Molecular Weight497.53 g/mol
Exact Mass497.21
IUPAC Name1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(CC3C=CC(F)=CC3)cc2n(C[C@H](O)C(=O)NCC(C)(C)C#N)c1=O
InChIInChI=1S/C25H28FN5O5/c1-25(2,12-27)13-30-22(34)18(32)11-31-17-9-15(8-14-4-6-16(26)7-5-14)10-29-20(17)21(33)19(24(31)36)23(35)28-3/h4,6-7,9-10,14,18,32-33H,5,8,11,13H2,1-3H3,(H,28,35)(H,30,34)/t14?,18-/m0/s1
InChIKeyDWUOFKWTGAPTNT-IBYPIGCZSA-N
XLogP1.46
TPSA157.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Gsk-364735
CID 54718859
7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69480972
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-1-methyl-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69481025
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482466
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
N-Cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690871
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54697548
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-n-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54698986
7-benzyl-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54702855

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 143931861) is 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CNC(=O)c1c(O)c2ncc(CC3C=CC(F)=CC3)cc2n(C[C@H](O)C(=O)NCC(C)(C)C#N)c1=O.
What is the InChIKey of 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is DWUOFKWTGAPTNT-IBYPIGCZSA-N. The full InChI is InChI=1S/C25H28FN5O5/c1-25(2,12-27)13-30-22(34)18(32)11-31-17-9-15(8-14-4-6-16(26)7-5-14)10-29-20(17)21(33)19(24(31)36)23(35)28-3/h4,6-7,9-10,14,18,32-33H,5,8,11,13H2,1-3H3,(H,28,35)(H,30,34)/t14?,18-/m0/s1.
What are the key properties of 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-[(2-cyano-2-methylpropyl)amino]-2-hydroxy-3-oxopropyl]-7-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-4-hydroxy-N-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 143931861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).