2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H18N4O — CID 74231778

IUPAC2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCn1nccc1-c1cccc(-c2nc3c(cc2C(N)=O)CCC3)c1
InChIInChI=1S/C19H18N4O/c1-23-17(8-9-21-23)13-5-2-6-14(10-13)18-15(19(20)24)11-12-4-3-7-16(12)22-18/h2,5-6,8-11H,3-4,7H2,1H3,(H2,20,24)
InChIKeyRHVVJTJARNQSMY-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.74
Rot. Bonds3

About 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 74231778) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID74231778
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCn1nccc1-c1cccc(-c2nc3c(cc2C(N)=O)CCC3)c1
InChIInChI=1S/C19H18N4O/c1-23-17(8-9-21-23)13-5-2-6-14(10-13)18-15(19(20)24)11-12-4-3-7-16(12)22-18/h2,5-6,8-11H,3-4,7H2,1H3,(H2,20,24)
InChIKeyRHVVJTJARNQSMY-UHFFFAOYSA-N
XLogP2.74
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 74231778) is 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is Cn1nccc1-c1cccc(-c2nc3c(cc2C(N)=O)CCC3)c1.
What is the InChIKey of 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is RHVVJTJARNQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-23-17(8-9-21-23)13-5-2-6-14(10-13)18-15(19(20)24)11-12-4-3-7-16(12)22-18/h2,5-6,8-11H,3-4,7H2,1H3,(H2,20,24).
What are the key properties of 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrazol-3-yl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 74231778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).