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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Related Compounds

2-chloro-6-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62248114
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171
2-chloro-N-(3-chloro-2-pyridinyl)-6-(propylamino)pyridine-4-carboxamide
CID 103094848
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-6-(propylamino)pyridine-4-carbonyl azide
CID 90872001
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 39963862

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).