N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

C21H20FN3O3 — CID 42629208

IUPACN-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NCC2CC2)cn1
InChIInChI=1S/C21H20FN3O3/c1-13-18(20(25-28-13)15-4-7-17(22)8-5-15)12-27-19-9-6-16(11-23-19)21(26)24-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,26)
InChIKeyTVGGDSDCPKZAMT-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.90
Rot. Bonds7

About N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (PubChem CID 42629208) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
PubChem CID42629208
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NCC2CC2)cn1
InChIInChI=1S/C21H20FN3O3/c1-13-18(20(25-28-13)15-4-7-17(22)8-5-15)12-27-19-9-6-16(11-23-19)21(26)24-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,26)
InChIKeyTVGGDSDCPKZAMT-UHFFFAOYSA-N
XLogP3.90
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (CID 42629208) is N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)NCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The InChIKey is TVGGDSDCPKZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-18(20(25-28-13)15-4-7-17(22)8-5-15)12-27-19-9-6-16(11-23-19)21(26)24-10-14-2-3-14/h4-9,11,14H,2-3,10,12H2,1H3,(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 42629208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).