4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide

C21H23N5O — CID 56861141

IUPAC4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide
SMILESN#Cc1c(N)nc2c(c1-c1ccc(C(N)=O)cc1)CC1(CCNCC1)CC2
InChIInChI=1S/C21H23N5O/c22-12-16-18(13-1-3-14(4-2-13)20(24)27)15-11-21(7-9-25-10-8-21)6-5-17(15)26-19(16)23/h1-4,25H,5-11H2,(H2,23,26)(H2,24,27)
InChIKeyCHFULHRHPGNZAL-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.16
Rot. Bonds2

About 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide

4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide (PubChem CID 56861141) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide
PubChem CID56861141
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide
SMILESN#Cc1c(N)nc2c(c1-c1ccc(C(N)=O)cc1)CC1(CCNCC1)CC2
InChIInChI=1S/C21H23N5O/c22-12-16-18(13-1-3-14(4-2-13)20(24)27)15-11-21(7-9-25-10-8-21)6-5-17(15)26-19(16)23/h1-4,25H,5-11H2,(H2,23,26)(H2,24,27)
InChIKeyCHFULHRHPGNZAL-UHFFFAOYSA-N
XLogP2.16
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[5-(hydroxymethyl)furan-2-yl]spiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-3-carbonitrile
CID 56868774
4-[(8S)-2-amino-3-cyano-8-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzamide
CID 95524999
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
methyl 4-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzoate
CID 7731997
4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide
CID 58739713
2-amino-4-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636172
2-amino-4-(4-ethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636171
4-[2-amino-3,5-dicyano-6-(2,3-dihydroxypropylsulfanyl)-4-pyridinyl]benzamide
CID 58740085
2-amino-4-(3-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82119478
2-amino-4-[4-[3-(dimethylamino)propoxy]phenyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 56884364
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide?
The IUPAC name of 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide (CID 56861141) is 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide.
What is the SMILES notation for 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide?
The canonical SMILES for 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide is N#Cc1c(N)nc2c(c1-c1ccc(C(N)=O)cc1)CC1(CCNCC1)CC2.
What is the InChIKey of 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide?
The InChIKey is CHFULHRHPGNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-12-16-18(13-1-3-14(4-2-13)20(24)27)15-11-21(7-9-25-10-8-21)6-5-17(15)26-19(16)23/h1-4,25H,5-11H2,(H2,23,26)(H2,24,27).
What are the key properties of 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide?
4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyanospiro[7,8-dihydro-5H-quinoline-6,4'-piperidine]-4-yl)benzamide is sourced from PubChem (CID 56861141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).