N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide

C19H22N4O — CID 165350997

IUPACN-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N4O/c1-22(2)13-12-18(24)20-19-16-10-6-7-11-17(16)23(21-19)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,21,24)
InChIKeyMUJPVMSAFBUFBG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.97
Rot. Bonds6

About N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide

N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide (PubChem CID 165350997) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
PubChem CID165350997
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H22N4O/c1-22(2)13-12-18(24)20-19-16-10-6-7-11-17(16)23(21-19)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,21,24)
InChIKeyMUJPVMSAFBUFBG-UHFFFAOYSA-N
XLogP2.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 12555
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
1-benzylindazole-3-carboxylate
CID 22239042
1-benzyl-3-ethynylindazole
CID 87472716
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
sodium 1-benzylindazol-3-olate
CID 23691647

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide (CID 165350997) is N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide?
The InChIKey is MUJPVMSAFBUFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(2)13-12-18(24)20-19-16-10-6-7-11-17(16)23(21-19)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,21,24).
What are the key properties of N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide?
N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-3-yl)-3-(dimethylamino)propanamide is sourced from PubChem (CID 165350997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).