6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C18H20N6O2 — CID 12784883

IUPAC6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H20N6O2/c1-18(2,3)12-7-5-11(6-8-12)14-9-13(26-4)10-15(19-14)16(25)20-17-21-23-24-22-17/h5-10H,1-4H3,(H2,20,21,22,23,24,25)
InChIKeyGKWPVMKLKRXJON-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.82
Rot. Bonds4

About 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12784883) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12784883
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H20N6O2/c1-18(2,3)12-7-5-11(6-8-12)14-9-13(26-4)10-15(19-14)16(25)20-17-21-23-24-22-17/h5-10H,1-4H3,(H2,20,21,22,23,24,25)
InChIKeyGKWPVMKLKRXJON-UHFFFAOYSA-N
XLogP2.82
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
CID 70528241
CID 70528241
sodium;6-[4-(dimethylamino)phenyl]-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide;hydride
CID 173433554
4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784870
sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 20537501
CID 70545917
CID 70545917
2-(4-methoxyphenyl)-4-methyl-N-(2H-tetrazol-5-yl)-1,3-thiazole-5-carboxamide
CID 14772776
4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
CID 22501762
1-(2H-tetrazol-5-yl)-3-(2,4,6-trimethoxyphenyl)urea
CID 10851307
6-methoxy-4-methyl-3-oxo-N-(2H-tetrazol-5-yl)quinoxaline-2-carboxamide
CID 21491304
5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676219
CID 70476554
CID 70476554

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12784883) is 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is COc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is GKWPVMKLKRXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-18(2,3)12-7-5-11(6-8-12)14-9-13(26-4)10-15(19-14)16(25)20-17-21-23-24-22-17/h5-10H,1-4H3,(H2,20,21,22,23,24,25).
What are the key properties of 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12784883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).