N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide

C24H26FN5O3 — CID 90204748

IUPACN-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)c4cnco4)C(C)C3)c2C)cn1
InChIInChI=1S/C24H26FN5O3/c1-15-4-5-18(10-27-15)23(31)28-21-9-20(25)8-19(17(21)3)13-29-6-7-30(16(2)12-29)24(32)22-11-26-14-33-22/h4-5,8-11,14,16H,6-7,12-13H2,1-3H3,(H,28,31)
InChIKeyFMRVXXIRQBPEOD-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.42
Rot. Bonds5

About N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide

N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 90204748) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID90204748
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)c4cnco4)C(C)C3)c2C)cn1
InChIInChI=1S/C24H26FN5O3/c1-15-4-5-18(10-27-15)23(31)28-21-9-20(25)8-19(17(21)3)13-29-6-7-30(16(2)12-29)24(32)22-11-26-14-33-22/h4-5,8-11,14,16H,6-7,12-13H2,1-3H3,(H,28,31)
InChIKeyFMRVXXIRQBPEOD-UHFFFAOYSA-N
XLogP3.42
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-5-oxazolecarboxamide
CID 45489447
ALP-POS-305f6ec3-49
CID 156906786
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide
CID 167098745
1-N-(1,3-oxazol-5-ylmethyl)-3-N-[(1R)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 89726712
ALP-POS-305f6ec3-4
CID 156906745
ALP-POS-305f6ec3-19
CID 156906759
N-(4'-fluoro-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 24790772
(4-Methyl-1,3-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658803
4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
CID 56676116
5-{[1-(1,3-Oxazole-5-carbonyl)piperidin-4-YL]methyl}quinoline
CID 118739843
1,3-Oxazol-5-yl-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 118741475
N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)-1,3-oxazole-5-carboxamide
CID 177375210

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide (CID 90204748) is N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)c4cnco4)C(C)C3)c2C)cn1.
What is the InChIKey of N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is FMRVXXIRQBPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-15-4-5-18(10-27-15)23(31)28-21-9-20(25)8-19(17(21)3)13-29-6-7-30(16(2)12-29)24(32)22-11-26-14-33-22/h4-5,8-11,14,16H,6-7,12-13H2,1-3H3,(H,28,31).
What are the key properties of N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-3-[[3-methyl-4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 90204748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).