2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide

C15H14ClN3O — CID 102773264

IUPAC2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCc3cccnc32)cc1Cl
InChIInChI=1S/C15H14ClN3O/c16-12-8-10(4-5-11(12)15(17)20)19-13-6-3-9-2-1-7-18-14(9)13/h1-2,4-5,7-8,13,19H,3,6H2,(H2,17,20)
InChIKeyPICRSRQDEIQDCT-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide

2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide (PubChem CID 102773264) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide.

Molecular Properties

Compound Name2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
PubChem CID102773264
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
SMILESNC(=O)c1ccc(NC2CCc3cccnc32)cc1Cl
InChIInChI=1S/C15H14ClN3O/c16-12-8-10(4-5-11(12)15(17)20)19-13-6-3-9-2-1-7-18-14(9)13/h1-2,4-5,7-8,13,19H,3,6H2,(H2,17,20)
InChIKeyPICRSRQDEIQDCT-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide?
The IUPAC name of 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide (CID 102773264) is 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide.
What is the SMILES notation for 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide?
The canonical SMILES for 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide is NC(=O)c1ccc(NC2CCc3cccnc32)cc1Cl.
What is the InChIKey of 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide?
The InChIKey is PICRSRQDEIQDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-8-10(4-5-11(12)15(17)20)19-13-6-3-9-2-1-7-18-14(9)13/h1-2,4-5,7-8,13,19H,3,6H2,(H2,17,20).
What are the key properties of 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide?
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide has a molecular weight of 287.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide is sourced from PubChem (CID 102773264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).