N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide

C19H22N4O — CID 22319495

IUPACN-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C19H22N4O/c1-4-5-18(24)20-19-16-11-8-14(12-17(16)21-22-19)13-6-9-15(10-7-13)23(2)3/h6-12H,4-5H2,1-3H3,(H2,20,21,22,24)
InChIKeyKAAKSACDXTWDOZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.03
Rot. Bonds5

About N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide

N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide (PubChem CID 22319495) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide
PubChem CID22319495
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C19H22N4O/c1-4-5-18(24)20-19-16-11-8-14(12-17(16)21-22-19)13-6-9-15(10-7-13)23(2)3/h6-12H,4-5H2,1-3H3,(H2,20,21,22,24)
InChIKeyKAAKSACDXTWDOZ-UHFFFAOYSA-N
XLogP4.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
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N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 6539593
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539606
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide (CID 22319495) is N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(N(C)C)cc3)ccc12.
What is the InChIKey of N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide?
The InChIKey is KAAKSACDXTWDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-5-18(24)20-19-16-11-8-14(12-17(16)21-22-19)13-6-9-15(10-7-13)23(2)3/h6-12H,4-5H2,1-3H3,(H2,20,21,22,24).
What are the key properties of N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide?
N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)phenyl]-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).