1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide

C22H20N6O — CID 86263678

IUPAC1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1nnn(Cc2ccccc2)c1-c1ccncc1
InChIInChI=1S/C22H20N6O/c29-22(25-14-8-17-7-4-11-24-15-17)20-21(19-9-12-23-13-10-19)28(27-26-20)16-18-5-2-1-3-6-18/h1-7,9-13,15H,8,14,16H2,(H,25,29)
InChIKeyMLTBLSFMOHGFHS-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.76
Rot. Bonds7

About 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide

1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide (PubChem CID 86263678) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
PubChem CID86263678
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1nnn(Cc2ccccc2)c1-c1ccncc1
InChIInChI=1S/C22H20N6O/c29-22(25-14-8-17-7-4-11-24-15-17)20-21(19-9-12-23-13-10-19)28(27-26-20)16-18-5-2-1-3-6-18/h1-7,9-13,15H,8,14,16H2,(H,25,29)
InChIKeyMLTBLSFMOHGFHS-UHFFFAOYSA-N
XLogP2.76
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 56769041
1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 31399390
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-pyridin-4-yltriazole-4-carboxamide
CID 53123513
2-anilino-N-(2-pyridin-3-ylethyl)benzamide
CID 36866409
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414
3-cyclopropyl-N-(2-pyridin-3-ylethyl)quinoxaline-2-carboxamide
CID 125420088
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696744
1-benzyl-5-(3,4-dimethylphenyl)triazole-4-carboxylic acid
CID 94942456
2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
CID 86305276
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide (CID 86263678) is 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide is O=C(NCCc1cccnc1)c1nnn(Cc2ccccc2)c1-c1ccncc1.
What is the InChIKey of 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
The InChIKey is MLTBLSFMOHGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(25-14-8-17-7-4-11-24-15-17)20-21(19-9-12-23-13-10-19)28(27-26-20)16-18-5-2-1-3-6-18/h1-7,9-13,15H,8,14,16H2,(H,25,29).
What are the key properties of 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-pyridin-4-yl-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 86263678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).