2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C13H14N6O2 — CID 107346606

IUPAC2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1-n1cc(N)c(C(N)=O)n1)CCC2
InChIInChI=1S/C13H14N6O2/c14-8-5-19(18-10(8)12(16)21)13-7(11(15)20)4-6-2-1-3-9(6)17-13/h4-5H,1-3,14H2,(H2,15,20)(H2,16,21)
InChIKeyMTGPGAPMGXRBTC-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.46
Rot. Bonds3

About 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 107346606) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID107346606
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1-n1cc(N)c(C(N)=O)n1)CCC2
InChIInChI=1S/C13H14N6O2/c14-8-5-19(18-10(8)12(16)21)13-7(11(15)20)4-6-2-1-3-9(6)17-13/h4-5H,1-3,14H2,(H2,15,20)(H2,16,21)
InChIKeyMTGPGAPMGXRBTC-UHFFFAOYSA-N
XLogP-0.46
TPSA142.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 107346606) is 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cc2c(nc1-n1cc(N)c(C(N)=O)n1)CCC2.
What is the InChIKey of 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is MTGPGAPMGXRBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c14-8-5-19(18-10(8)12(16)21)13-7(11(15)20)4-6-2-1-3-9(6)17-13/h4-5H,1-3,14H2,(H2,15,20)(H2,16,21).
What are the key properties of 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-carbamoylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 107346606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).