N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

C19H21N5O2 — CID 164609805

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2cccc(OC)c2)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-10-15(8-13-6-5-7-16(9-13)26-3)21-17(11-14)18-12-24(2)23-22-18/h5-7,9-12H,4,8H2,1-3H3,(H,20,25)
InChIKeyQZSSCYPZAVNPSH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.23
Rot. Bonds6

About N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 164609805) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID164609805
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCCNC(=O)c1cc(Cc2cccc(OC)c2)nc(-c2cn(C)nn2)c1
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-10-15(8-13-6-5-7-16(9-13)26-3)21-17(11-14)18-12-24(2)23-22-18/h5-7,9-12H,4,8H2,1-3H3,(H,20,25)
InChIKeyQZSSCYPZAVNPSH-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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Related Compounds

Pyrrolopyridine, 29
CID 16720207
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(3-methoxyphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769229
N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
2-(3-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725
2-(4-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809726
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-2-carboxamide
CID 44218487
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide
CID 68512374

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 164609805) is N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is CCNC(=O)c1cc(Cc2cccc(OC)c2)nc(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is QZSSCYPZAVNPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-20-19(25)14-10-15(8-13-6-5-7-16(9-13)26-3)21-17(11-14)18-12-24(2)23-22-18/h5-7,9-12H,4,8H2,1-3H3,(H,20,25).
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
N-ethyl-2-[(3-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-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164609805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).