4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide

C23H22N4O — CID 138674494

IUPAC4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
SMILESCn1ncc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc21
InChIInChI=1S/C23H22N4O/c1-27-22-12-11-19(14-20(22)15-25-27)18-9-7-17(8-10-18)4-2-6-23(28)26-21-5-3-13-24-16-21/h3,5,7-16H,2,4,6H2,1H3,(H,26,28)
InChIKeyQSXSRERRQWBYTP-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.60
Rot. Bonds6

About 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide

4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide (PubChem CID 138674494) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
PubChem CID138674494
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
SMILESCn1ncc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc21
InChIInChI=1S/C23H22N4O/c1-27-22-12-11-19(14-20(22)15-25-27)18-9-7-17(8-10-18)4-2-6-23(28)26-21-5-3-13-24-16-21/h3,5,7-16H,2,4,6H2,1H3,(H,26,28)
InChIKeyQSXSRERRQWBYTP-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674422
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674485
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674503
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-[4-(4-amino-3-methanimidoyl-2-methylphenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 164706505
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 158795578
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
CID 126421662
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(7-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;6-methyl-N-[[1-[[4-(1-methylindazol-5-yl)phenyl]methyl]cyclopropyl]methyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;4-[4-(2-oxo-1H-pyrimidin-5-yl)phenyl]-N-pyridin-3-ylbutanamide;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 164964850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide (CID 138674494) is 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide is Cn1ncc2cc(-c3ccc(CCCC(=O)Nc4cccnc4)cc3)ccc21.
What is the InChIKey of 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
The InChIKey is QSXSRERRQWBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-27-22-12-11-19(14-20(22)15-25-27)18-9-7-17(8-10-18)4-2-6-23(28)26-21-5-3-13-24-16-21/h3,5,7-16H,2,4,6H2,1H3,(H,26,28).
What are the key properties of 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide?
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide has a molecular weight of 370.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 138674494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).