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

C20H19FN4O2 — CID 42629450

IUPACN-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CC2)cn1
InChIInChI=1S/C20H19FN4O2/c1-12-17(19(25-27-12)13-2-5-15(21)6-3-13)11-23-18-9-4-14(10-22-18)20(26)24-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,23)(H,24,26)
InChIKeyXVRJCLURPRHMAW-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.69
Rot. Bonds6

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

N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide (PubChem CID 42629450) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide
PubChem CID42629450
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CC2)cn1
InChIInChI=1S/C20H19FN4O2/c1-12-17(19(25-27-12)13-2-5-15(21)6-3-13)11-23-18-9-4-14(10-22-18)20(26)24-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,23)(H,24,26)
InChIKeyXVRJCLURPRHMAW-UHFFFAOYSA-N
XLogP3.69
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide (CID 42629450) is N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide is Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC2CC2)cn1.
What is the InChIKey of N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is XVRJCLURPRHMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12-17(19(25-27-12)13-2-5-15(21)6-3-13)11-23-18-9-4-14(10-22-18)20(26)24-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide?
N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 42629450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).