1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide

C19H14ClN5O — CID 53111524

IUPAC1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)nnn2Cc1ccccc1
InChIInChI=1S/C19H14ClN5O/c20-15-7-9-18(21-11-15)22-19(26)14-6-8-17-16(10-14)23-24-25(17)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,26)
InChIKeyLGZYNXSOEDPWND-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.78
Rot. Bonds4

About 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide

1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide (PubChem CID 53111524) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide
PubChem CID53111524
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)nnn2Cc1ccccc1
InChIInChI=1S/C19H14ClN5O/c20-15-7-9-18(21-11-15)22-19(26)14-6-8-17-16(10-14)23-24-25(17)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,26)
InChIKeyLGZYNXSOEDPWND-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide (CID 53111524) is 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)nnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide?
The InChIKey is LGZYNXSOEDPWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-15-7-9-18(21-11-15)22-19(26)14-6-8-17-16(10-14)23-24-25(17)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,26).
What are the key properties of 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide?
1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 53111524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).