N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine

C17H20ClN3 — CID 103444802

IUPACN-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)C1CCc2cccnc21
InChIInChI=1S/C17H20ClN3/c1-2-9-19-16(17-14(18)6-4-11-21-17)13-8-7-12-5-3-10-20-15(12)13/h3-6,10-11,13,16,19H,2,7-9H2,1H3
InChIKeyRPXRWPIKOPISFZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.90
Rot. Bonds5

About N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine

N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine (PubChem CID 103444802) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
PubChem CID103444802
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)C1CCc2cccnc21
InChIInChI=1S/C17H20ClN3/c1-2-9-19-16(17-14(18)6-4-11-21-17)13-8-7-12-5-3-10-20-15(12)13/h3-6,10-11,13,16,19H,2,7-9H2,1H3
InChIKeyRPXRWPIKOPISFZ-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 102923634
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79748308
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79739951
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine (CID 103444802) is N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine is CCCNC(c1ncccc1Cl)C1CCc2cccnc21.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine?
The InChIKey is RPXRWPIKOPISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-2-9-19-16(17-14(18)6-4-11-21-17)13-8-7-12-5-3-10-20-15(12)13/h3-6,10-11,13,16,19H,2,7-9H2,1H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine?
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine has a molecular weight of 301.82 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine is sourced from PubChem (CID 103444802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).