1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide

C14H17N5O — CID 64780365

IUPAC1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc3c(cc2CN)CCC3)n1
InChIInChI=1S/C14H17N5O/c1-16-14(20)12-5-6-19(18-12)13-10(8-15)7-9-3-2-4-11(9)17-13/h5-7H,2-4,8,15H2,1H3,(H,16,20)
InChIKeyGECWWOVKKDKKFD-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.57
Rot. Bonds3

About 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide

1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 64780365) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide
PubChem CID64780365
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc3c(cc2CN)CCC3)n1
InChIInChI=1S/C14H17N5O/c1-16-14(20)12-5-6-19(18-12)13-10(8-15)7-9-3-2-4-11(9)17-13/h5-7H,2-4,8,15H2,1H3,(H,16,20)
InChIKeyGECWWOVKKDKKFD-UHFFFAOYSA-N
XLogP0.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide (CID 64780365) is 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2nc3c(cc2CN)CCC3)n1.
What is the InChIKey of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is GECWWOVKKDKKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-16-14(20)12-5-6-19(18-12)13-10(8-15)7-9-3-2-4-11(9)17-13/h5-7H,2-4,8,15H2,1H3,(H,16,20).
What are the key properties of 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide?
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).