N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide

C16H23N5O2 — CID 169114715

IUPACN'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide
SMILESCCCC(C)CN(CC)C(=O)C(=O)Nc1cncc2cn[nH]c12
InChIInChI=1S/C16H23N5O2/c1-4-6-11(3)10-21(5-2)16(23)15(22)19-13-9-17-7-12-8-18-20-14(12)13/h7-9,11H,4-6,10H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyGKGXHJVFULJPJU-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.18
Rot. Bonds6

About N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide

N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide (PubChem CID 169114715) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide
PubChem CID169114715
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide
SMILESCCCC(C)CN(CC)C(=O)C(=O)Nc1cncc2cn[nH]c12
InChIInChI=1S/C16H23N5O2/c1-4-6-11(3)10-21(5-2)16(23)15(22)19-13-9-17-7-12-8-18-20-14(12)13/h7-9,11H,4-6,10H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyGKGXHJVFULJPJU-UHFFFAOYSA-N
XLogP2.18
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide?
The IUPAC name of N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide (CID 169114715) is N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide?
The canonical SMILES for N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide is CCCC(C)CN(CC)C(=O)C(=O)Nc1cncc2cn[nH]c12.
What is the InChIKey of N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide?
The InChIKey is GKGXHJVFULJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-6-11(3)10-21(5-2)16(23)15(22)19-13-9-17-7-12-8-18-20-14(12)13/h7-9,11H,4-6,10H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide?
N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide has a molecular weight of 317.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylpentyl)-N-(1H-pyrazolo[4,3-c]pyridin-7-yl)oxamide is sourced from PubChem (CID 169114715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).