2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide

C13H15ClN4O2 — CID 62165467

IUPAC2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cc(C)on2)cc(Cl)n1
InChIInChI=1S/C13H15ClN4O2/c1-3-4-15-11-7-9(6-10(14)16-11)13(19)17-12-5-8(2)20-18-12/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyDNVUTKKTWKLRJC-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.11
Rot. Bonds5

About 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 62165467) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID62165467
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cc(C)on2)cc(Cl)n1
InChIInChI=1S/C13H15ClN4O2/c1-3-4-15-11-7-9(6-10(14)16-11)13(19)17-12-5-8(2)20-18-12/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyDNVUTKKTWKLRJC-UHFFFAOYSA-N
XLogP3.11
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide (CID 62165467) is 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2cc(C)on2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is DNVUTKKTWKLRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-4-15-11-7-9(6-10(14)16-11)13(19)17-12-5-8(2)20-18-12/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62165467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).