3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine

C16H17Cl2N3 — CID 102753592

IUPAC3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(C2CCc3cccnc32)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3/c1-2-7-20-16-13(18)9-12(17)15(21-16)11-6-5-10-4-3-8-19-14(10)11/h3-4,8-9,11H,2,5-7H2,1H3,(H,20,21)
InChIKeyYOUGNKIRDOCIFM-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.68
Rot. Bonds4

About 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine

3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine (PubChem CID 102753592) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
PubChem CID102753592
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(C2CCc3cccnc32)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3/c1-2-7-20-16-13(18)9-12(17)15(21-16)11-6-5-10-4-3-8-19-14(10)11/h3-4,8-9,11H,2,5-7H2,1H3,(H,20,21)
InChIKeyYOUGNKIRDOCIFM-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine with MolForge

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Related Compounds

6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 79739582
N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
CID 79739368
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467
7-(6-chloro-5-ethylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739769
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
3,5-dichloro-2-N-propyl-6-N-(1-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102756051
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine (CID 102753592) is 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine is CCCNc1nc(C2CCc3cccnc32)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine?
The InChIKey is YOUGNKIRDOCIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-2-7-20-16-13(18)9-12(17)15(21-16)11-6-5-10-4-3-8-19-14(10)11/h3-4,8-9,11H,2,5-7H2,1H3,(H,20,21).
What are the key properties of 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine has a molecular weight of 322.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102753592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).