(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate

C17H17FN6O2 — CID 27027535

IUPAC(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESCCCn1nnnc1COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C17H17FN6O2/c1-2-10-24-15(21-22-23-24)11-26-17(25)12-6-5-9-19-16(12)20-14-8-4-3-7-13(14)18/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyYIVPFOFRLRWZPM-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.72
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate

(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 27027535) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID27027535
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESCCCn1nnnc1COC(=O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C17H17FN6O2/c1-2-10-24-15(21-22-23-24)11-26-17(25)12-6-5-9-19-16(12)20-14-8-4-3-7-13(14)18/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyYIVPFOFRLRWZPM-UHFFFAOYSA-N
XLogP2.72
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027534
(1-butyltetrazol-5-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 18283606
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 8578938
phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 41030181
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943
[2-(cyclopropylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2546779
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 27027535) is (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate is CCCn1nnnc1COC(=O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is YIVPFOFRLRWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-2-10-24-15(21-22-23-24)11-26-17(25)12-6-5-9-19-16(12)20-14-8-4-3-7-13(14)18/h3-9H,2,10-11H2,1H3,(H,19,20).
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 356.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 27027535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).