4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide

C23H22N4O — CID 20877648

IUPAC4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccccn1
InChIInChI=1S/C23H22N4O/c28-22(25-17-19-11-6-7-15-24-19)14-8-16-27-21-13-5-4-12-20(21)23(26-27)18-9-2-1-3-10-18/h1-7,9-13,15H,8,14,16-17H2,(H,25,28)
InChIKeyZEYUWKWYXNVUMQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.19
Rot. Bonds7

About 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide

4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 20877648) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide
PubChem CID20877648
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccccn1
InChIInChI=1S/C23H22N4O/c28-22(25-17-19-11-6-7-15-24-19)14-8-16-27-21-13-5-4-12-20(21)23(26-27)18-9-2-1-3-10-18/h1-7,9-13,15H,8,14,16-17H2,(H,25,28)
InChIKeyZEYUWKWYXNVUMQ-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-phenylindazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20877655
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
CID 45493872
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 109017955

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide (CID 20877648) is 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide is O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccccn1.
What is the InChIKey of 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is ZEYUWKWYXNVUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c28-22(25-17-19-11-6-7-15-24-19)14-8-16-27-21-13-5-4-12-20(21)23(26-27)18-9-2-1-3-10-18/h1-7,9-13,15H,8,14,16-17H2,(H,25,28).
What are the key properties of 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide?
4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 370.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 20877648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).