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

C18H20N6O3 — CID 27027534

IUPAC(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCCCn1nnnc1COC(=O)c1cccnc1Nc1ccccc1OC
InChIInChI=1S/C18H20N6O3/c1-3-11-24-16(21-22-23-24)12-27-18(25)13-7-6-10-19-17(13)20-14-8-4-5-9-15(14)26-2/h4-10H,3,11-12H2,1-2H3,(H,19,20)
InChIKeyNLMXHYZUXXNNIA-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.59
Rot. Bonds8

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

(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate (PubChem CID 27027534) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
PubChem CID27027534
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
SMILESCCCn1nnnc1COC(=O)c1cccnc1Nc1ccccc1OC
InChIInChI=1S/C18H20N6O3/c1-3-11-24-16(21-22-23-24)12-27-18(25)13-7-6-10-19-17(13)20-14-8-4-5-9-15(14)26-2/h4-10H,3,11-12H2,1-2H3,(H,19,20)
InChIKeyNLMXHYZUXXNNIA-UHFFFAOYSA-N
XLogP2.59
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 27027535
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
(5-methyl-1,2-oxazol-3-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27027662
(1-butyltetrazol-5-yl)methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 18283606
(1-propyltetrazol-5-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 8578938
[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4844062
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
[2-(4-hydroxyanilino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 27908502
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate (CID 27027534) is (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate is CCCn1nnnc1COC(=O)c1cccnc1Nc1ccccc1OC.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
The InChIKey is NLMXHYZUXXNNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-3-11-24-16(21-22-23-24)12-27-18(25)13-7-6-10-19-17(13)20-14-8-4-5-9-15(14)26-2/h4-10H,3,11-12H2,1-2H3,(H,19,20).
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate?
(1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate has a molecular weight of 368.40 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-(2-methoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 27027534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).