2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide

C19H20N4O — CID 118947835

IUPAC2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cccnc2)CCCCC1c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H20N4O/c20-18(24)19(15-4-3-9-21-12-15)8-2-1-5-16(19)13-6-7-17-14(10-13)11-22-23-17/h3-4,6-7,9-12,16H,1-2,5,8H2,(H2,20,24)(H,22,23)
InChIKeyHJUJEVDRLKIPGX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.04
Rot. Bonds3

About 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide

2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 118947835) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID118947835
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cccnc2)CCCCC1c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H20N4O/c20-18(24)19(15-4-3-9-21-12-15)8-2-1-5-16(19)13-6-7-17-14(10-13)11-22-23-17/h3-4,6-7,9-12,16H,1-2,5,8H2,(H2,20,24)(H,22,23)
InChIKeyHJUJEVDRLKIPGX-UHFFFAOYSA-N
XLogP3.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide (CID 118947835) is 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide is NC(=O)C1(c2cccnc2)CCCCC1c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is HJUJEVDRLKIPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-18(24)19(15-4-3-9-21-12-15)8-2-1-5-16(19)13-6-7-17-14(10-13)11-22-23-17/h3-4,6-7,9-12,16H,1-2,5,8H2,(H2,20,24)(H,22,23).
What are the key properties of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide?
2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 118947835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).