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

C16H17N7O — CID 12811070

IUPAC6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H17N7O/c1-10-8-13(11-4-6-12(7-5-11)23(2)3)17-14(9-10)15(24)18-16-19-21-22-20-16/h4-9H,1-3H3,(H2,18,19,20,21,22,24)
InChIKeyDCLROICWINVSJN-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.89
Rot. Bonds4

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

6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (PubChem CID 12811070) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
PubChem CID12811070
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H17N7O/c1-10-8-13(11-4-6-12(7-5-11)23(2)3)17-14(9-10)15(24)18-16-19-21-22-20-16/h4-9H,1-3H3,(H2,18,19,20,21,22,24)
InChIKeyDCLROICWINVSJN-UHFFFAOYSA-N
XLogP1.89
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide (CID 12811070) is 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is Cc1cc(C(=O)Nc2nn[nH]n2)nc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is DCLROICWINVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-10-8-13(11-4-6-12(7-5-11)23(2)3)17-14(9-10)15(24)18-16-19-21-22-20-16/h4-9H,1-3H3,(H2,18,19,20,21,22,24).
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide?
6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 12811070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).