5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide

C13H15ClN4O2 — CID 106423014

IUPAC5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NCc2ccno2)cc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-2-4-15-12-11(14)6-9(7-16-12)13(19)17-8-10-3-5-18-20-10/h3,5-7H,2,4,8H2,1H3,(H,15,16)(H,17,19)
InChIKeyPEUBBLYKSODRLV-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.47
Rot. Bonds6

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

5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 106423014) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID106423014
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NCc2ccno2)cc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-2-4-15-12-11(14)6-9(7-16-12)13(19)17-8-10-3-5-18-20-10/h3,5-7H,2,4,8H2,1H3,(H,15,16)(H,17,19)
InChIKeyPEUBBLYKSODRLV-UHFFFAOYSA-N
XLogP2.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
2-ethyl-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-4-carboxamide
CID 106423091
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66355264
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
N-(2-bromophenyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62166024
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180209

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide (CID 106423014) is 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NCc2ccno2)cc1Cl.
What is the InChIKey of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is PEUBBLYKSODRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-2-4-15-12-11(14)6-9(7-16-12)13(19)17-8-10-3-5-18-20-10/h3,5-7H,2,4,8H2,1H3,(H,15,16)(H,17,19).
What are the key properties of 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106423014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).