2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide

C13H13N5O — CID 89365852

IUPAC2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C13H13N5O/c1-8(2)12(19)18-13-16-9(3)15-11(17-13)10-5-4-6-14-7-10/h4-7H,1H2,2-3H3,(H,15,16,17,18,19)
InChIKeyLVOXJEJRBCMQGM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide

2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide (PubChem CID 89365852) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide
PubChem CID89365852
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C13H13N5O/c1-8(2)12(19)18-13-16-9(3)15-11(17-13)10-5-4-6-14-7-10/h4-7H,1H2,2-3H3,(H,15,16,17,18,19)
InChIKeyLVOXJEJRBCMQGM-UHFFFAOYSA-N
XLogP1.76
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)benzamide
CID 70936544
4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
CID 14045777
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
4-amino-6-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 116648034
1-(3-methylphenyl)-3-(4-methylsulfanyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)urea
CID 58655401
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 23536120
2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 19995962
2,4-dimethyl-6-[4-[4-methyl-6-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide (CID 89365852) is 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide is C=C(C)C(=O)Nc1nc(C)nc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide?
The InChIKey is LVOXJEJRBCMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8(2)12(19)18-13-16-9(3)15-11(17-13)10-5-4-6-14-7-10/h4-7H,1H2,2-3H3,(H,15,16,17,18,19).
What are the key properties of 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide?
2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide has a molecular weight of 255.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)prop-2-enamide is sourced from PubChem (CID 89365852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).