2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C15H22N4O — CID 116653364

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCN(c1nc2c(cc1C(N)=O)CCC2)C(CN)C1CC1
InChIInChI=1S/C15H22N4O/c1-19(13(8-16)9-5-6-9)15-11(14(17)20)7-10-3-2-4-12(10)18-15/h7,9,13H,2-6,8,16H2,1H3,(H2,17,20)
InChIKeyWQYFCGVMHYIMKL-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.84
Rot. Bonds5

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 116653364) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID116653364
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCN(c1nc2c(cc1C(N)=O)CCC2)C(CN)C1CC1
InChIInChI=1S/C15H22N4O/c1-19(13(8-16)9-5-6-9)15-11(14(17)20)7-10-3-2-4-12(10)18-15/h7,9,13H,2-6,8,16H2,1H3,(H2,17,20)
InChIKeyWQYFCGVMHYIMKL-UHFFFAOYSA-N
XLogP0.84
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 65193964
2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 115319387
3-[(2-amino-1-cyclopropylethyl)-methylamino]pyrazine-2-carboxamide
CID 116653439
2-[1-hydroxypropan-2-yl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 104552030
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702838
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678
2-[methyl(3-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701660
2-(1-aminopentan-2-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 65192895
2-[cyclobutylmethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 55125729
2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 62269859
2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62701328
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 116653364) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CN(c1nc2c(cc1C(N)=O)CCC2)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is WQYFCGVMHYIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(13(8-16)9-5-6-9)15-11(14(17)20)7-10-3-2-4-12(10)18-15/h7,9,13H,2-6,8,16H2,1H3,(H2,17,20).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 116653364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).