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

C18H21N7O — CID 12811072

IUPAC6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1
InChIInChI=1S/C18H21N7O/c1-4-25(5-2)14-8-6-13(7-9-14)15-10-12(3)11-16(19-15)17(26)20-18-21-23-24-22-18/h6-11H,4-5H2,1-3H3,(H2,20,21,22,23,24,26)
InChIKeyBAWMIINTIRZVQC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.67
Rot. Bonds6

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

6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12811072) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12811072
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1
InChIInChI=1S/C18H21N7O/c1-4-25(5-2)14-8-6-13(7-9-14)15-10-12(3)11-16(19-15)17(26)20-18-21-23-24-22-18/h6-11H,4-5H2,1-3H3,(H2,20,21,22,23,24,26)
InChIKeyBAWMIINTIRZVQC-UHFFFAOYSA-N
XLogP2.67
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12811072) is 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is CCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nn[nH]n3)n2)cc1.
What is the InChIKey of 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is BAWMIINTIRZVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-4-25(5-2)14-8-6-13(7-9-14)15-10-12(3)11-16(19-15)17(26)20-18-21-23-24-22-18/h6-11H,4-5H2,1-3H3,(H2,20,21,22,23,24,26).
What are the key properties of 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12811072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).