5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

C14H15ClN4O2 — CID 56816124

IUPAC5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(C2CCCN2c2ncc(C(N)=O)cc2Cl)no1
InChIInChI=1S/C14H15ClN4O2/c1-8-5-11(18-21-8)12-3-2-4-19(12)14-10(15)6-9(7-17-14)13(16)20/h5-7,12H,2-4H2,1H3,(H2,16,20)
InChIKeyXSURSQBVFDNIKN-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.47
Rot. Bonds3

About 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 56816124) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID56816124
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(C2CCCN2c2ncc(C(N)=O)cc2Cl)no1
InChIInChI=1S/C14H15ClN4O2/c1-8-5-11(18-21-8)12-3-2-4-19(12)14-10(15)6-9(7-17-14)13(16)20/h5-7,12H,2-4H2,1H3,(H2,16,20)
InChIKeyXSURSQBVFDNIKN-UHFFFAOYSA-N
XLogP2.47
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 56816124) is 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is Cc1cc(C2CCCN2c2ncc(C(N)=O)cc2Cl)no1.
What is the InChIKey of 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is XSURSQBVFDNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8-5-11(18-21-8)12-3-2-4-19(12)14-10(15)6-9(7-17-14)13(16)20/h5-7,12H,2-4H2,1H3,(H2,16,20).
What are the key properties of 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56816124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).