3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide

C14H10ClFN6O — CID 155004963

IUPAC3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
SMILESCn1nnnc1NC(=O)c1ccnc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H10ClFN6O/c1-22-14(19-20-21-22)18-13(23)10-6-7-17-12(11(10)15)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,19,21,23)
InChIKeyKTGQOAPDCBTIQA-UHFFFAOYSA-N
MW332.73 g/mol
LogP2.32
Rot. Bonds3

About 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide

3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide (PubChem CID 155004963) has the molecular formula C14H10ClFN6O and a molecular weight of 332.73 g/mol. Its IUPAC name is 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
PubChem CID155004963
Molecular FormulaC14H10ClFN6O
Molecular Weight332.73 g/mol
Exact Mass332.06
IUPAC Name3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
SMILESCn1nnnc1NC(=O)c1ccnc(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C14H10ClFN6O/c1-22-14(19-20-21-22)18-13(23)10-6-7-17-12(11(10)15)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,19,21,23)
InChIKeyKTGQOAPDCBTIQA-UHFFFAOYSA-N
XLogP2.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminopyrimidin-4-yl)-4-chloro-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809963
US9687479, 395 N-benzyl-1-[(2-chlorophenyl)carbonyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 71544427
1-(2-chlorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970713
1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine
CID 5000438
N-(5-chloro-2-pyridinyl)-5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 71580230
(5-Amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone
CID 162654445
2-chloro-N-2-pyridinyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1263310
2-chloro-N-(4-methyl-2-pyridinyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
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1-(4-Chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-YL)-1H-1,2,4-triazol-5-amine
CID 3923180
5-(2-amino-5-chloropyrimidin-4-yl)-2-(2-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 24809934
2-Chloro-N-{7-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}benzamide
CID 16014103
1-(2-Chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-YL)-1H-1,2,4-triazol-5-amine
CID 2979853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide (CID 155004963) is 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide is Cn1nnnc1NC(=O)c1ccnc(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is KTGQOAPDCBTIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN6O/c1-22-14(19-20-21-22)18-13(23)10-6-7-17-12(11(10)15)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,18,19,21,23).
What are the key properties of 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 332.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155004963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).