3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide

C10H10N6O — CID 54502758

IUPAC3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESCc1cnccc1C=CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H10N6O/c1-7-6-11-5-4-8(7)2-3-9(17)12-10-13-15-16-14-10/h2-6H,1H3,(H2,12,13,14,15,16,17)
InChIKeyYDPGGFCFVAQSNC-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.56
Rot. Bonds3

About 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide

3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide (PubChem CID 54502758) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
PubChem CID54502758
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
SMILESCc1cnccc1C=CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C10H10N6O/c1-7-6-11-5-4-8(7)2-3-9(17)12-10-13-15-16-14-10/h2-6H,1H3,(H2,12,13,14,15,16,17)
InChIKeyYDPGGFCFVAQSNC-UHFFFAOYSA-N
XLogP0.56
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54433090
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 75533554
2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 19995962
3-(2-chloro-6-fluorophenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 897930
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 82153807
(E)-N-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-(3-methyl-4-pyridinyl)prop-2-enamide
CID 167900150
(Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide
CID 69286218
(E)-4-amino-N-(3-methyl-4-pyridinyl)but-2-enamide
CID 130533248
3,6-dimethyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 13209568
3-(3-methyl-4-pyridinyl)prop-2-enenitrile
CID 169483055
(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
CID 70156613
2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide
CID 110205418

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide (CID 54502758) is 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide is Cc1cnccc1C=CC(=O)Nc1nn[nH]n1.
What is the InChIKey of 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
The InChIKey is YDPGGFCFVAQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-7-6-11-5-4-8(7)2-3-9(17)12-10-13-15-16-14-10/h2-6H,1H3,(H2,12,13,14,15,16,17).
What are the key properties of 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide?
3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide has a molecular weight of 230.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-pyridinyl)-N-(2H-tetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 54502758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).