N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide

C14H12ClN5O — CID 134793727

IUPACN-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide
SMILESCc1nnn2c(C(=O)NCc3ccc(Cl)nc3)cccc12
InChIInChI=1S/C14H12ClN5O/c1-9-11-3-2-4-12(20(11)19-18-9)14(21)17-8-10-5-6-13(15)16-7-10/h2-7H,8H2,1H3,(H,17,21)
InChIKeyRXTKALLFGNUFNZ-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.02
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 134793727) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide
PubChem CID134793727
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide
SMILESCc1nnn2c(C(=O)NCc3ccc(Cl)nc3)cccc12
InChIInChI=1S/C14H12ClN5O/c1-9-11-3-2-4-12(20(11)19-18-9)14(21)17-8-10-5-6-13(15)16-7-10/h2-7H,8H2,1H3,(H,17,21)
InChIKeyRXTKALLFGNUFNZ-UHFFFAOYSA-N
XLogP2.02
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide (CID 134793727) is N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide is Cc1nnn2c(C(=O)NCc3ccc(Cl)nc3)cccc12.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is RXTKALLFGNUFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-9-11-3-2-4-12(20(11)19-18-9)14(21)17-8-10-5-6-13(15)16-7-10/h2-7H,8H2,1H3,(H,17,21).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-3-methyltriazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 134793727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).