2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid

C26H28FN3O4 — CID 143574594

IUPAC2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid
SMILESCc1ccc(C(=O)c2ccc(=O)n(-c3ccc(CNC(CC(C)C)C(=O)O)cc3)c2N)c(F)c1
InChIInChI=1S/C26H28FN3O4/c1-15(2)12-22(26(33)34)29-14-17-5-7-18(8-6-17)30-23(31)11-10-20(25(30)28)24(32)19-9-4-16(3)13-21(19)27/h4-11,13,15,22,29H,12,14,28H2,1-3H3,(H,33,34)
InChIKeyAGKNAZQQGGRSCF-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.69
Rot. Bonds9

About 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid

2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid (PubChem CID 143574594) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid
PubChem CID143574594
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC Name2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid
SMILESCc1ccc(C(=O)c2ccc(=O)n(-c3ccc(CNC(CC(C)C)C(=O)O)cc3)c2N)c(F)c1
InChIInChI=1S/C26H28FN3O4/c1-15(2)12-22(26(33)34)29-14-17-5-7-18(8-6-17)30-23(31)11-10-20(25(30)28)24(32)19-9-4-16(3)13-21(19)27/h4-11,13,15,22,29H,12,14,28H2,1-3H3,(H,33,34)
InChIKeyAGKNAZQQGGRSCF-UHFFFAOYSA-N
XLogP3.69
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

6-amino-5-(2,4-difluoro-5-methylbenzoyl)-1-[4-(2-hydroxyethyl)phenyl]pyridin-2-one
CID 143854829
cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
CID 67445685
tert-butyl (2R)-2-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethylamino]-4-methylpentanoate
CID 42605871
4-methyl-2-[(3,4,5-trifluorophenyl)methylamino]pentanoic acid
CID 55146013
2-[(3-chloro-4-fluorophenyl)methylamino]-4-methylpentanoic acid
CID 81145122
(2S)-2-[(2,5-dimethylphenyl)methylamino]-4-methylpentanoic acid
CID 120510814
cyclopentyl (2S)-2-[2-[4-[2-amino-3-(4-chlorobenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
CID 24798443
(2R)-4-amino-2-[(2-fluoro-4-methylbenzoyl)amino]-4-oxobutanoic acid
CID 107821559
2-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 74818755
(2R)-2-[(2-bromo-4-methylphenyl)methylamino]-4-methylpentanoic acid
CID 120511341
(2S)-2-[2-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenyl]ethylamino]-2-(4-fluorophenyl)acetic acid
CID 42606686
2-[(2-fluoro-4-methylphenyl)methylsulfonylamino]-4-methylpentanoic acid
CID 122069960

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid (CID 143574594) is 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid is Cc1ccc(C(=O)c2ccc(=O)n(-c3ccc(CNC(CC(C)C)C(=O)O)cc3)c2N)c(F)c1.
What is the InChIKey of 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid?
The InChIKey is AGKNAZQQGGRSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c1-15(2)12-22(26(33)34)29-14-17-5-7-18(8-6-17)30-23(31)11-10-20(25(30)28)24(32)19-9-4-16(3)13-21(19)27/h4-11,13,15,22,29H,12,14,28H2,1-3H3,(H,33,34).
What are the key properties of 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid?
2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid has a molecular weight of 465.53 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-amino-3-(2-fluoro-4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 143574594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).