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

C16H14N4O — CID 118948292

IUPAC2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccnc2)CC1c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H14N4O/c17-15(21)16(12-2-1-5-18-9-12)7-13(16)10-3-4-14-11(6-10)8-19-20-14/h1-6,8-9,13H,7H2,(H2,17,21)(H,19,20)
InChIKeyUJKZZESZAJWPPM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.87
Rot. Bonds3

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

2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 118948292) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID118948292
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cccnc2)CC1c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H14N4O/c17-15(21)16(12-2-1-5-18-9-12)7-13(16)10-3-4-14-11(6-10)8-19-20-14/h1-6,8-9,13H,7H2,(H2,17,21)(H,19,20)
InChIKeyUJKZZESZAJWPPM-UHFFFAOYSA-N
XLogP1.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.87
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-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide (CID 118948292) is 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide is NC(=O)C1(c2cccnc2)CC1c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is UJKZZESZAJWPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-15(21)16(12-2-1-5-18-9-12)7-13(16)10-3-4-14-11(6-10)8-19-20-14/h1-6,8-9,13H,7H2,(H2,17,21)(H,19,20).
What are the key properties of 2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide?
2-(1H-indazol-5-yl)-1-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.87, 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-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 118948292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).