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

C14H10F2N6O — CID 155004962

IUPAC3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
SMILESCn1nnnc1NC(=O)c1ccnc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C14H10F2N6O/c1-22-14(19-20-21-22)18-13(23)10-6-7-17-12(11(10)16)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,18,19,21,23)
InChIKeyAMGFWZREKDGKAU-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.80
Rot. Bonds3

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

3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide (PubChem CID 155004962) has the molecular formula C14H10F2N6O and a molecular weight of 316.27 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
PubChem CID155004962
Molecular FormulaC14H10F2N6O
Molecular Weight316.27 g/mol
Exact Mass316.09
IUPAC Name3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide
SMILESCn1nnnc1NC(=O)c1ccnc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C14H10F2N6O/c1-22-14(19-20-21-22)18-13(23)10-6-7-17-12(11(10)16)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,18,19,21,23)
InChIKeyAMGFWZREKDGKAU-UHFFFAOYSA-N
XLogP1.80
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
5-(2-Amino-5-fluoro-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809937
5-(2-Amino-pyrimidin-4-yl)-1-trifluoroethyl-2-phenyl-1Hpyrrole-3-carboxamide
CID 49788938
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-(2-fluoropyridin-3-yl)prop-2-enamide
CID 86581371
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560466
US9687479, 358 1-benzoyl-N-[(4-fluorophenyl)methyl]-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-amine
CID 133081405
4-fluoro-N-(7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 707949
7-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 2998230
4-fluoro-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)benzamide
CID 5193716

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide (CID 155004962) is 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide is Cn1nnnc1NC(=O)c1ccnc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is AMGFWZREKDGKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O/c1-22-14(19-20-21-22)18-13(23)10-6-7-17-12(11(10)16)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,18,19,21,23).
What are the key properties of 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide?
3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluorophenyl)-N-(1-methyltetrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155004962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).