N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide

C22H25F2N3O4 — CID 155258958

IUPACN-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCC(C)CN(C(=O)c2[nH]cc(C(=O)NCc3ccc(F)cc3F)c(=O)c2O)C1
InChIInChI=1S/C22H25F2N3O4/c1-12-3-4-13(2)11-27(10-12)22(31)18-20(29)19(28)16(9-25-18)21(30)26-8-14-5-6-15(23)7-17(14)24/h5-7,9,12-13,29H,3-4,8,10-11H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIWVZZRXUPKKBNK-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.80
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 155258958) has the molecular formula C22H25F2N3O4 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide
PubChem CID155258958
Molecular FormulaC22H25F2N3O4
Molecular Weight433.46 g/mol
Exact Mass433.18
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCC(C)CN(C(=O)c2[nH]cc(C(=O)NCc3ccc(F)cc3F)c(=O)c2O)C1
InChIInChI=1S/C22H25F2N3O4/c1-12-3-4-13(2)11-27(10-12)22(31)18-20(29)19(28)16(9-25-18)21(30)26-8-14-5-6-15(23)7-17(14)24/h5-7,9,12-13,29H,3-4,8,10-11H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyIWVZZRXUPKKBNK-UHFFFAOYSA-N
XLogP2.80
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 176520150
(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide sodium salt
CID 67179015
(6R)-4-cyclohexyl-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-6-methyl-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 54713640
5-N-[(2,4-difluorophenyl)methyl]-3-hydroxy-2-N-methyl-4-oxo-2-N-[3-(4,4,4-trifluorobutylamino)oxolan-3-yl]-1H-pyridine-2,5-dicarboxamide
CID 144870946
(3S,7R)-7-deuterio-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 71471319
(3S)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-4-methyl-7-methylidene-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 163981218
(3R,7S)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 129138204
N-[(2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;methanol
CID 163235218
(1S,11R,13S)-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 90328406
(2S,7R,10R)-N-[(2,4-difluorophenyl)methyl]-16-hydroxy-15,18-dioxo-1,8,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
CID 155231314
(10S,12R)-N-[(2,4-difluorophenyl)methyl]-12-ethyl-4-hydroxy-2,5,11-trioxo-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 118306414
(10S,12S)-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2,5,11-trioxo-12-propan-2-yl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 118306402

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide (CID 155258958) is N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide is CC1CCC(C)CN(C(=O)c2[nH]cc(C(=O)NCc3ccc(F)cc3F)c(=O)c2O)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IWVZZRXUPKKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4/c1-12-3-4-13(2)11-27(10-12)22(31)18-20(29)19(28)16(9-25-18)21(30)26-8-14-5-6-15(23)7-17(14)24/h5-7,9,12-13,29H,3-4,8,10-11H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-(3,6-dimethylazepane-1-carbonyl)-5-hydroxy-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155258958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).