N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide

C13H14N4O2 — CID 109180619

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cc(C)on2)nc1
InChIInChI=1S/C13H14N4O2/c1-3-6-14-10-4-5-11(15-8-10)13(18)16-12-7-9(2)19-17-12/h3-5,7-8,14H,1,6H2,2H3,(H,16,17,18)
InChIKeyVJHAUVQGTDOUEC-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.23
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180619) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180619
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cc(C)on2)nc1
InChIInChI=1S/C13H14N4O2/c1-3-6-14-10-4-5-11(15-8-10)13(18)16-12-7-9(2)19-17-12/h3-5,7-8,14H,1,6H2,2H3,(H,16,17,18)
InChIKeyVJHAUVQGTDOUEC-UHFFFAOYSA-N
XLogP2.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179831
5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960
5-(3,5-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198217
5-[(4-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109190552
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198151
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
N-(5-methyl-1,2-oxazol-3-yl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200329
N-(5-methyl-1,2-oxazol-3-yl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189087
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
N-(3,4-difluorophenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180618

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180619) is N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)Nc2cc(C)on2)nc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is VJHAUVQGTDOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-6-14-10-4-5-11(15-8-10)13(18)16-12-7-9(2)19-17-12/h3-5,7-8,14H,1,6H2,2H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).