N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C16H20N4O — CID 20953939

IUPACN-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C16H20N4O/c1-20(2)10-9-17-16(21)15-13-8-7-11-5-3-4-6-12(11)14(13)18-19-15/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyDHTJEHVYTZABLO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20953939) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20953939
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C16H20N4O/c1-20(2)10-9-17-16(21)15-13-8-7-11-5-3-4-6-12(11)14(13)18-19-15/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyDHTJEHVYTZABLO-UHFFFAOYSA-N
XLogP1.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953986
N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 122246984
N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953929
N-[[4-(dimethylamino)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 1185033
N-(1H-1,2,4-triazol-5-yl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71827942
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71831326
N-[[4-(diethylamino)phenyl]methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 4522877
N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 761334
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 90486461
N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 696865

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20953939) is N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is CN(C)CCNC(=O)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is DHTJEHVYTZABLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(2)10-9-17-16(21)15-13-8-7-11-5-3-4-6-12(11)14(13)18-19-15/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20953939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).