1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine

C18H23N3 — CID 102772921

IUPAC1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CCc3cccnc32)cc1
InChIInChI=1S/C18H23N3/c1-3-21(4-2)16-10-8-15(9-11-16)20-17-12-7-14-6-5-13-19-18(14)17/h5-6,8-11,13,17,20H,3-4,7,12H2,1-2H3
InChIKeySJPKAJYGEMIRFS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.03
Rot. Bonds5

About 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine

1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine (PubChem CID 102772921) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine
PubChem CID102772921
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SMILESCCN(CC)c1ccc(NC2CCc3cccnc32)cc1
InChIInChI=1S/C18H23N3/c1-3-21(4-2)16-10-8-15(9-11-16)20-17-12-7-14-6-5-13-19-18(14)17/h5-6,8-11,13,17,20H,3-4,7,12H2,1-2H3
InChIKeySJPKAJYGEMIRFS-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
N-(4-pentylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772729
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
CID 107803892
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
CID 102772599
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
2-N,2-N-dimethyl-5-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyridine-2,5-diamine
CID 79080303
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butanamide
CID 170583156
2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 102773495
N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078553

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine (CID 102772921) is 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine is CCN(CC)c1ccc(NC2CCc3cccnc32)cc1.
What is the InChIKey of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
The InChIKey is SJPKAJYGEMIRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-21(4-2)16-10-8-15(9-11-16)20-17-12-7-14-6-5-13-19-18(14)17/h5-6,8-11,13,17,20H,3-4,7,12H2,1-2H3.
What are the key properties of 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine?
1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine is sourced from PubChem (CID 102772921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).