N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine

C15H18N4 — CID 102923636

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)C1CCc2cccnc21
InChIInChI=1S/C15H18N4/c1-2-18-15(12-8-16-10-17-9-12)13-6-5-11-4-3-7-19-14(11)13/h3-4,7-10,13,15,18H,2,5-6H2,1H3
InChIKeyRDXOIXDHKQVTPP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.25
Rot. Bonds4

About N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine (PubChem CID 102923636) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
PubChem CID102923636
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
SMILESCCNC(c1cncnc1)C1CCc2cccnc21
InChIInChI=1S/C15H18N4/c1-2-18-15(12-8-16-10-17-9-12)13-6-5-11-4-3-7-19-14(11)13/h3-4,7-10,13,15,18H,2,5-6H2,1H3
InChIKeyRDXOIXDHKQVTPP-UHFFFAOYSA-N
XLogP2.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(3-methylphenyl)methyl]ethanamine
CID 79748587
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105166089
N-[(3-bromo-2-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009686
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105009812
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79748308
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine (CID 102923636) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine is CCNC(c1cncnc1)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine?
The InChIKey is RDXOIXDHKQVTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-18-15(12-8-16-10-17-9-12)13-6-5-11-4-3-7-19-14(11)13/h3-4,7-10,13,15,18H,2,5-6H2,1H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.25, 4 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(pyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 102923636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).