N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C22H23FN4O4 — CID 92635682

IUPACN-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C22H23FN4O4/c1-4-18(15-5-8-17(23)9-6-15)26(3)22(30)16-7-10-21(29)27(12-16)13-20(28)24-19-11-14(2)31-25-19/h5-12,18H,4,13H2,1-3H3,(H,24,25,28)/t18-/m0/s1
InChIKeySIUGRDSKYYHSJM-SFHVURJKSA-N
MW426.45 g/mol
LogP3.15
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92635682) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92635682
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC NameN-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C22H23FN4O4/c1-4-18(15-5-8-17(23)9-6-15)26(3)22(30)16-7-10-21(29)27(12-16)13-20(28)24-19-11-14(2)31-25-19/h5-12,18H,4,13H2,1-3H3,(H,24,25,28)/t18-/m0/s1
InChIKeySIUGRDSKYYHSJM-SFHVURJKSA-N
XLogP3.15
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92632214
N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110246895
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8671117
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
4-fluoro-N-[[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205274
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
4-fluoro-N-[3-methyl-1-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 51267351
(2S)-2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51927010

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92635682) is N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is SIUGRDSKYYHSJM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-4-18(15-5-8-17(23)9-6-15)26(3)22(30)16-7-10-21(29)27(12-16)13-20(28)24-19-11-14(2)31-25-19/h5-12,18H,4,13H2,1-3H3,(H,24,25,28)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).