N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide

C16H15ClN4O — CID 22319680

IUPACN-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccncc3)cc12
InChIInChI=1S/C16H15ClN4O/c1-2-3-15(22)19-16-12-8-11(10-4-6-18-7-5-10)13(17)9-14(12)20-21-16/h4-9H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyJDBQWQGPXALDQH-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.02
Rot. Bonds4

About N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide

N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide (PubChem CID 22319680) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide
PubChem CID22319680
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccncc3)cc12
InChIInChI=1S/C16H15ClN4O/c1-2-3-15(22)19-16-12-8-11(10-4-6-18-7-5-10)13(17)9-14(12)20-21-16/h4-9H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyJDBQWQGPXALDQH-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide (CID 22319680) is N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccncc3)cc12.
What is the InChIKey of N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide?
The InChIKey is JDBQWQGPXALDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-3-15(22)19-16-12-8-11(10-4-6-18-7-5-10)13(17)9-14(12)20-21-16/h4-9H,2-3H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide?
N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide has a molecular weight of 314.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-pyridin-4-yl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 22319680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).