sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

C19H23N7NaO2+ — CID 20537501

IUPACsodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(CC)CC)cc2)c1.[Na+]
InChIInChI=1S/C19H23N7O2.Na/c1-4-26(5-2)14-9-7-13(8-10-14)16-11-15(28-6-3)12-17(20-16)18(27)21-19-22-24-25-23-19;/h7-12H,4-6H2,1-3H3,(H2,21,22,23,24,25,27);/q;+1
InChIKeyBBUBBARNFUMJKA-UHFFFAOYSA-N
MW404.43 g/mol
LogP-0.24
Rot. Bonds8

About sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide

sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 20537501) has the molecular formula C19H23N7NaO2+ and a molecular weight of 404.43 g/mol. Its IUPAC name is sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Namesodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID20537501
Molecular FormulaC19H23N7NaO2+
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC Namesodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(CC)CC)cc2)c1.[Na+]
InChIInChI=1S/C19H23N7O2.Na/c1-4-26(5-2)14-9-7-13(8-10-14)16-11-15(28-6-3)12-17(20-16)18(27)21-19-22-24-25-23-19;/h7-12H,4-6H2,1-3H3,(H2,21,22,23,24,25,27);/q;+1
InChIKeyBBUBBARNFUMJKA-UHFFFAOYSA-N
XLogP-0.24
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 70545917
CID 70545917
sodium;6-[4-(dimethylamino)phenyl]-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide;hydride
CID 173433554
6-(4-chlorophenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784865
CID 70528241
CID 70528241
6-(4-tert-butylphenyl)-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784883
4-methoxy-6-(4-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 12784870
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
CID 70476554
CID 70476554
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 20537499
methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
CID 20537542
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370

Frequently Asked Questions

What is the IUPAC name of sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 20537501) is sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is CCOc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(CC)CC)cc2)c1.[Na+].
What is the InChIKey of sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is BBUBBARNFUMJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.Na/c1-4-26(5-2)14-9-7-13(8-10-14)16-11-15(28-6-3)12-17(20-16)18(27)21-19-22-24-25-23-19;/h7-12H,4-6H2,1-3H3,(H2,21,22,23,24,25,27);/q;+1.
What are the key properties of sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[4-(diethylamino)phenyl]-4-ethoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 20537501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).