N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide

C20H16ClN5O — CID 53111228

IUPACN-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(Cl)cn3)ccc21
InChIInChI=1S/C20H16ClN5O/c1-13-4-2-3-5-15(13)12-26-18-8-6-14(10-17(18)24-25-26)20(27)23-19-9-7-16(21)11-22-19/h2-11H,12H2,1H3,(H,22,23,27)
InChIKeyYWVZVOITMXEGSL-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.09
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111228) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111228
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(Cl)cn3)ccc21
InChIInChI=1S/C20H16ClN5O/c1-13-4-2-3-5-15(13)12-26-18-8-6-14(10-17(18)24-25-26)20(27)23-19-9-7-16(21)11-22-19/h2-11H,12H2,1H3,(H,22,23,27)
InChIKeyYWVZVOITMXEGSL-UHFFFAOYSA-N
XLogP4.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide (CID 53111228) is N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide is Cc1ccccc1Cn1nnc2cc(C(=O)Nc3ccc(Cl)cn3)ccc21.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is YWVZVOITMXEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-13-4-2-3-5-15(13)12-26-18-8-6-14(10-17(18)24-25-26)20(27)23-19-9-7-16(21)11-22-19/h2-11H,12H2,1H3,(H,22,23,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).