N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C16H22N4 — CID 79748308

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1CCc2cccnc21
InChIInChI=1S/C16H22N4/c1-3-8-17-16(13-10-19-20(2)11-13)14-7-6-12-5-4-9-18-15(12)14/h4-5,9-11,14,16-17H,3,6-8H2,1-2H3
InChIKeyUASWLHYCRLIAPR-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.59
Rot. Bonds5

About N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 79748308) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID79748308
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1CCc2cccnc21
InChIInChI=1S/C16H22N4/c1-3-8-17-16(13-10-19-20(2)11-13)14-7-6-12-5-4-9-18-15(12)14/h4-5,9-11,14,16-17H,3,6-8H2,1-2H3
InChIKeyUASWLHYCRLIAPR-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine with MolForge

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Related Compounds

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-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802
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]ethanamine
CID 102923636
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587
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
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530
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

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 79748308) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is UASWLHYCRLIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-8-17-16(13-10-19-20(2)11-13)14-7-6-12-5-4-9-18-15(12)14/h4-5,9-11,14,16-17H,3,6-8H2,1-2H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 79748308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).