N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride

C18H20ClN3O2 — CID 119515209

IUPACN-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C18H19N3O2.ClH/c19-17-8-6-15(11-20-17)21-18(23)9-7-16(22)14-5-4-12-2-1-3-13(12)10-14;/h4-6,8,10-11H,1-3,7,9H2,(H2,19,20)(H,21,23);1H
InChIKeyODXFMOCDDIXEMZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.18
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride

N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119515209) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
PubChem CID119515209
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
SMILESCl.Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C18H19N3O2.ClH/c19-17-8-6-15(11-20-17)21-18(23)9-7-16(22)14-5-4-12-2-1-3-13(12)10-14;/h4-6,8,10-11H,1-3,7,9H2,(H2,19,20)(H,21,23);1H
InChIKeyODXFMOCDDIXEMZ-UHFFFAOYSA-N
XLogP3.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 43042227
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 120566684
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
CID 55709002
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 51116933
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride (CID 119515209) is N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride is Cl.Nc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is ODXFMOCDDIXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2.ClH/c19-17-8-6-15(11-20-17)21-18(23)9-7-16(22)14-5-4-12-2-1-3-13(12)10-14;/h4-6,8,10-11H,1-3,7,9H2,(H2,19,20)(H,21,23);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119515209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).