N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H19N5O2 — CID 51087901

IUPACN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2ccnc(-n3cncn3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-3-10-26-17-6-4-15(5-7-17)12-23(2)19(25)16-8-9-21-18(11-16)24-14-20-13-22-24/h3-9,11,13-14H,1,10,12H2,2H3
InChIKeyAQBYDMCSOGINHU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.50
Rot. Bonds7

About N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51087901) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51087901
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2ccnc(-n3cncn3)c2)cc1
InChIInChI=1S/C19H19N5O2/c1-3-10-26-17-6-4-15(5-7-17)12-23(2)19(25)16-8-9-21-18(11-16)24-14-20-13-22-24/h3-9,11,13-14H,1,10,12H2,2H3
InChIKeyAQBYDMCSOGINHU-UHFFFAOYSA-N
XLogP2.50
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51087901) is N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is C=CCOc1ccc(CN(C)C(=O)c2ccnc(-n3cncn3)c2)cc1.
What is the InChIKey of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is AQBYDMCSOGINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-10-26-17-6-4-15(5-7-17)12-23(2)19(25)16-8-9-21-18(11-16)24-14-20-13-22-24/h3-9,11,13-14H,1,10,12H2,2H3.
What are the key properties of N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51087901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).