N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide

C23H25FN4O3 — CID 163277084

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCc1noc(C)c1-c1cc(NC(=O)c2ccncc2F)ccc1OCCN1CCCC1
InChIInChI=1S/C23H25FN4O3/c1-15-22(16(2)31-27-15)19-13-17(26-23(29)18-7-8-25-14-20(18)24)5-6-21(19)30-12-11-28-9-3-4-10-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,26,29)
InChIKeyXRWHYIVGRRRGGQ-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.22
Rot. Bonds7

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 163277084) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID163277084
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCc1noc(C)c1-c1cc(NC(=O)c2ccncc2F)ccc1OCCN1CCCC1
InChIInChI=1S/C23H25FN4O3/c1-15-22(16(2)31-27-15)19-13-17(26-23(29)18-7-8-25-14-20(18)24)5-6-21(19)30-12-11-28-9-3-4-10-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,26,29)
InChIKeyXRWHYIVGRRRGGQ-UHFFFAOYSA-N
XLogP4.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide (CID 163277084) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide is Cc1noc(C)c1-c1cc(NC(=O)c2ccncc2F)ccc1OCCN1CCCC1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is XRWHYIVGRRRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15-22(16(2)31-27-15)19-13-17(26-23(29)18-7-8-25-14-20(18)24)5-6-21(19)30-12-11-28-9-3-4-10-28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 163277084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).