N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

C19H21N5O2 — CID 164617958

IUPACN-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2ccc(OC)cc2)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-10-15(9-13-5-7-16(26-3)8-6-13)21-17(11-14)18-12-24(2)23-22-18/h5-8,10-12H,4,9H2,1-3H3,(H,20,25)
InChIKeyLSKGZNVAEMRWHN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.23
Rot. Bonds6

About N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 164617958) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID164617958
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2ccc(OC)cc2)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-10-15(9-13-5-7-16(26-3)8-6-13)21-17(11-14)18-12-24(2)23-22-18/h5-8,10-12H,4,9H2,1-3H3,(H,20,25)
InChIKeyLSKGZNVAEMRWHN-UHFFFAOYSA-N
XLogP2.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 164617958) is N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is CCNC(=O)c1cc(Cc2ccc(OC)cc2)nc(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is LSKGZNVAEMRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-20-19(25)14-10-15(9-13-5-7-16(26-3)8-6-13)21-17(11-14)18-12-24(2)23-22-18/h5-8,10-12H,4,9H2,1-3H3,(H,20,25).
What are the key properties of N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164617958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).