5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide

C19H17N5O3 — CID 75462742

IUPAC5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)NCCn3c(=O)oc4ccccc43)c2)cn1
InChIInChI=1S/C19H17N5O3/c1-23-12-15(11-22-23)13-8-14(10-20-9-13)18(25)21-6-7-24-16-4-2-3-5-17(16)27-19(24)26/h2-5,8-12H,6-7H2,1H3,(H,21,25)
InChIKeyCIEOTVCBSHMVOJ-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.82
Rot. Bonds5

About 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide

5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 75462742) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID75462742
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)NCCn3c(=O)oc4ccccc43)c2)cn1
InChIInChI=1S/C19H17N5O3/c1-23-12-15(11-22-23)13-8-14(10-20-9-13)18(25)21-6-7-24-16-4-2-3-5-17(16)27-19(24)26/h2-5,8-12H,6-7H2,1H3,(H,21,25)
InChIKeyCIEOTVCBSHMVOJ-UHFFFAOYSA-N
XLogP1.82
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95802914
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 95617299
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781
1-(3-hydroxy-4-methylpentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111506042
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111426876
1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 71990219
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 95617225
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
3-[3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 95569735

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide (CID 75462742) is 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide is Cn1cc(-c2cncc(C(=O)NCCn3c(=O)oc4ccccc43)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is CIEOTVCBSHMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-23-12-15(11-22-23)13-8-14(10-20-9-13)18(25)21-6-7-24-16-4-2-3-5-17(16)27-19(24)26/h2-5,8-12H,6-7H2,1H3,(H,21,25).
What are the key properties of 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide?
5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75462742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).