2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide

C24H25N7O — CID 15657997

IUPAC2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(N)=O
InChIInChI=1S/C24H25N7O/c1-2-3-15-31(24-21(22(25)32)9-6-14-26-24)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-14H,2-3,15-16H2,1H3,(H2,25,32)(H,27,28,29,30)
InChIKeyKGPOAIGXDPRLLE-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.83
Rot. Bonds9

About 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide

2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide (PubChem CID 15657997) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide
PubChem CID15657997
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(N)=O
InChIInChI=1S/C24H25N7O/c1-2-3-15-31(24-21(22(25)32)9-6-14-26-24)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-14H,2-3,15-16H2,1H3,(H2,25,32)(H,27,28,29,30)
InChIKeyKGPOAIGXDPRLLE-UHFFFAOYSA-N
XLogP3.83
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide (CID 15657997) is 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide is CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(N)=O.
What is the InChIKey of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide?
The InChIKey is KGPOAIGXDPRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-2-3-15-31(24-21(22(25)32)9-6-14-26-24)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-14H,2-3,15-16H2,1H3,(H2,25,32)(H,27,28,29,30).
What are the key properties of 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide?
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 15657997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).