4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

C18H20N6O — CID 86801220

IUPAC4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cc(N(C)C)ccn2)c1
InChIInChI=1S/C18H20N6O/c1-4-24-12-20-22-17(24)13-6-5-7-14(10-13)21-18(25)16-11-15(23(2)3)8-9-19-16/h5-12H,4H2,1-3H3,(H,21,25)
InChIKeyLYISLWVSZHBIGI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.68
Rot. Bonds5

About 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 86801220) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID86801220
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)c2cc(N(C)C)ccn2)c1
InChIInChI=1S/C18H20N6O/c1-4-24-12-20-22-17(24)13-6-5-7-14(10-13)21-18(25)16-11-15(23(2)3)8-9-19-16/h5-12H,4H2,1-3H3,(H,21,25)
InChIKeyLYISLWVSZHBIGI-UHFFFAOYSA-N
XLogP2.68
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
5-bromo-2-chloro-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32581878
1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 32577417
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 32575973
2-cyclohexyloxy-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 75399246
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32580860

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 86801220) is 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is CCn1cnnc1-c1cccc(NC(=O)c2cc(N(C)C)ccn2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is LYISLWVSZHBIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-4-24-12-20-22-17(24)13-6-5-7-14(10-13)21-18(25)16-11-15(23(2)3)8-9-19-16/h5-12H,4H2,1-3H3,(H,21,25).
What are the key properties of 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86801220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).