N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide

C12H13N5O3 — CID 126748517

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccnc(CNCC=O)c2)o1
InChIInChI=1S/C12H13N5O3/c1-8-16-17-12(20-8)15-11(19)9-2-3-14-10(6-9)7-13-4-5-18/h2-3,5-6,13H,4,7H2,1H3,(H,15,17,19)
InChIKeyONZYWZCALLAFNZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.31
Rot. Bonds6

About N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide

N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide (PubChem CID 126748517) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide
PubChem CID126748517
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide
SMILESCc1nnc(NC(=O)c2ccnc(CNCC=O)c2)o1
InChIInChI=1S/C12H13N5O3/c1-8-16-17-12(20-8)15-11(19)9-2-3-14-10(6-9)7-13-4-5-18/h2-3,5-6,13H,4,7H2,1H3,(H,15,17,19)
InChIKeyONZYWZCALLAFNZ-UHFFFAOYSA-N
XLogP0.31
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tetrazolyl)-4-methyl-2-pyridinecarboxamide
CID 13209519
N-(5-tetrazolyl)-4-ethyl-2-pyridinecarboxamide
CID 13209554
N-[(5-methyl-2-pyridinyl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 75498276
5-(3-methylbutyl)-N-[(5-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 86782926
3-chloro-2-[(3E,5Z)-7-fluorohepta-1,3,5-trien-4-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 155004870
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-fluoro-4-methylpyridine-2-carboxamide
CID 169248515
N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
CID 169248665
4-fluoro-N-[5-[1-(1-methoxyethyl)pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxamide
CID 169248702
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoropyridine-2-carboxamide
CID 170421282
4-fluoro-N-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 170421283
(2R,4S)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-fluoro-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 172371638
5-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-2-carboxamide
CID 178612149

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide (CID 126748517) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide is Cc1nnc(NC(=O)c2ccnc(CNCC=O)c2)o1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide?
The InChIKey is ONZYWZCALLAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-16-17-12(20-8)15-11(19)9-2-3-14-10(6-9)7-13-4-5-18/h2-3,5-6,13H,4,7H2,1H3,(H,15,17,19).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(2-oxoethylamino)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126748517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).