2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide

C21H26N4O — CID 45272667

IUPAC2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1
InChIInChI=1S/C21H26N4O/c1-3-7-17(8-4-2)21(26)23-14-16-10-11-19-18(13-16)15-24-25(19)20-9-5-6-12-22-20/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,23,26)
InChIKeyYJUZCFNGIHEGED-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.25
Rot. Bonds8

About 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide

2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide (PubChem CID 45272667) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide
PubChem CID45272667
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1
InChIInChI=1S/C21H26N4O/c1-3-7-17(8-4-2)21(26)23-14-16-10-11-19-18(13-16)15-24-25(19)20-9-5-6-12-22-20/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,23,26)
InChIKeyYJUZCFNGIHEGED-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
The IUPAC name of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide (CID 45272667) is 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
The canonical SMILES for 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide is CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccn2)c1.
What is the InChIKey of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
The InChIKey is YJUZCFNGIHEGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-7-17(8-4-2)21(26)23-14-16-10-11-19-18(13-16)15-24-25(19)20-9-5-6-12-22-20/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,23,26).
What are the key properties of 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide?
2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide has a molecular weight of 350.47 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[(1-pyridin-2-ylindazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 45272667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).