2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H25N3O2 — CID 103191853

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCN(c1nc2c(cc1C(=O)O)CCC2)C(C)CN(C)C
InChIInChI=1S/C16H25N3O2/c1-5-19(11(2)10-18(3)4)15-13(16(20)21)9-12-7-6-8-14(12)17-15/h9,11H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyIBDQWMAHAFXOGX-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.04
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 103191853) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID103191853
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCN(c1nc2c(cc1C(=O)O)CCC2)C(C)CN(C)C
InChIInChI=1S/C16H25N3O2/c1-5-19(11(2)10-18(3)4)15-13(16(20)21)9-12-7-6-8-14(12)17-15/h9,11H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyIBDQWMAHAFXOGX-UHFFFAOYSA-N
XLogP2.04
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[2-methylpropyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703046
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701660
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55125729
2-[cyclopropylmethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63940122
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702878
2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62701328
2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701830
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-(N,2-dimethylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701508
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62703012

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 103191853) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCN(c1nc2c(cc1C(=O)O)CCC2)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is IBDQWMAHAFXOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(11(2)10-18(3)4)15-13(16(20)21)9-12-7-6-8-14(12)17-15/h9,11H,5-8,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 103191853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).