5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one

C21H21N5O — CID 157445250

IUPAC5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2cc(Nc3ccnc4c3C=CC4)c(N(C)C)[nH]c2=O)n1
InChIInChI=1S/C21H21N5O/c1-13-6-4-9-17(23-13)15-12-19(20(26(2)3)25-21(15)27)24-18-10-11-22-16-8-5-7-14(16)18/h4-7,9-12H,8H2,1-3H3,(H,22,24)(H,25,27)
InChIKeySOKRNIREITZDFI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.52
Rot. Bonds4

About 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one

5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one (PubChem CID 157445250) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one
PubChem CID157445250
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2cc(Nc3ccnc4c3C=CC4)c(N(C)C)[nH]c2=O)n1
InChIInChI=1S/C21H21N5O/c1-13-6-4-9-17(23-13)15-12-19(20(26(2)3)25-21(15)27)24-18-10-11-22-16-8-5-7-14(16)18/h4-7,9-12H,8H2,1-3H3,(H,22,24)(H,25,27)
InChIKeySOKRNIREITZDFI-UHFFFAOYSA-N
XLogP3.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one?
The IUPAC name of 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one (CID 157445250) is 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one is Cc1cccc(-c2cc(Nc3ccnc4c3C=CC4)c(N(C)C)[nH]c2=O)n1.
What is the InChIKey of 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one?
The InChIKey is SOKRNIREITZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-6-4-9-17(23-13)15-12-19(20(26(2)3)25-21(15)27)24-18-10-11-22-16-8-5-7-14(16)18/h4-7,9-12H,8H2,1-3H3,(H,22,24)(H,25,27).
What are the key properties of 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one?
5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one is sourced from PubChem (CID 157445250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).