3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide

C18H18N4O2 — CID 177246462

IUPAC3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide
SMILESCCCN(C(=O)c1cccc(C(N)=O)c1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-2-8-22(15-7-6-14-11-20-21-16(14)10-15)18(24)13-5-3-4-12(9-13)17(19)23/h3-7,9-11H,2,8H2,1H3,(H2,19,23)(H,20,21)
InChIKeyDXSAEMSTRJRKFY-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.72
Rot. Bonds5

About 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide

3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide (PubChem CID 177246462) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide
PubChem CID177246462
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide
SMILESCCCN(C(=O)c1cccc(C(N)=O)c1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C18H18N4O2/c1-2-8-22(15-7-6-14-11-20-21-16(14)10-15)18(24)13-5-3-4-12(9-13)17(19)23/h3-7,9-11H,2,8H2,1H3,(H2,19,23)(H,20,21)
InChIKeyDXSAEMSTRJRKFY-UHFFFAOYSA-N
XLogP2.72
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806
N-butyl-N-ethyl-1H-indazole-6-carboxamide
CID 55023829
N,N-bis(2-amino-2-oxoethyl)-1H-indazole-6-carboxamide
CID 62923706
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
N-(2-hydroxyethyl)-N-methyl-1H-indazole-6-carboxamide
CID 60960458
3-[(1H-indazol-6-ylamino)methyl]benzamide
CID 63277483
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-6-carboxamide
CID 107735897
N-piperidin-3-yl-N-propyl-1H-indazole-6-carboxamide
CID 62921435
N-cyclopentyl-N-ethyl-1H-indazole-6-carboxamide
CID 62905257
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420

Frequently Asked Questions

What is the IUPAC name of 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide (CID 177246462) is 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide is CCCN(C(=O)c1cccc(C(N)=O)c1)c1ccc2cn[nH]c2c1.
What is the InChIKey of 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is DXSAEMSTRJRKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-8-22(15-7-6-14-11-20-21-16(14)10-15)18(24)13-5-3-4-12(9-13)17(19)23/h3-7,9-11H,2,8H2,1H3,(H2,19,23)(H,20,21).
What are the key properties of 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide?
3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1H-indazol-6-yl)-3-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 177246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).