N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C16H19N7O — CID 166350508

IUPACN,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1c[nH]c2ncc(C(=O)N(C)C3CCCC3c3nn[nH]n3)cc12
InChIInChI=1S/C16H19N7O/c1-9-7-17-14-12(9)6-10(8-18-14)16(24)23(2)13-5-3-4-11(13)15-19-21-22-20-15/h6-8,11,13H,3-5H2,1-2H3,(H,17,18)(H,19,20,21,22)
InChIKeyXUYZKGYILMYFJH-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.79
Rot. Bonds3

About N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 166350508) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID166350508
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1c[nH]c2ncc(C(=O)N(C)C3CCCC3c3nn[nH]n3)cc12
InChIInChI=1S/C16H19N7O/c1-9-7-17-14-12(9)6-10(8-18-14)16(24)23(2)13-5-3-4-11(13)15-19-21-22-20-15/h6-8,11,13H,3-5H2,1-2H3,(H,17,18)(H,19,20,21,22)
InChIKeyXUYZKGYILMYFJH-UHFFFAOYSA-N
XLogP1.79
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 166350508) is N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1c[nH]c2ncc(C(=O)N(C)C3CCCC3c3nn[nH]n3)cc12.
What is the InChIKey of N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is XUYZKGYILMYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-9-7-17-14-12(9)6-10(8-18-14)16(24)23(2)13-5-3-4-11(13)15-19-21-22-20-15/h6-8,11,13H,3-5H2,1-2H3,(H,17,18)(H,19,20,21,22).
What are the key properties of N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(2H-tetrazol-5-yl)cyclopentyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 166350508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).