3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

C13H11N5O — CID 67574475

IUPAC3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESO=C1Nc2ncccc2CN1N=Cc1ccccn1
InChIInChI=1S/C13H11N5O/c19-13-17-12-10(4-3-7-15-12)9-18(13)16-8-11-5-1-2-6-14-11/h1-8H,9H2,(H,15,17,19)
InChIKeyQFNILSHQHKNXCN-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.86
Rot. Bonds2

About 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one

3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 67574475) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
PubChem CID67574475
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
SMILESO=C1Nc2ncccc2CN1N=Cc1ccccn1
InChIInChI=1S/C13H11N5O/c19-13-17-12-10(4-3-7-15-12)9-18(13)16-8-11-5-1-2-6-14-11/h1-8H,9H2,(H,15,17,19)
InChIKeyQFNILSHQHKNXCN-UHFFFAOYSA-N
XLogP1.86
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one (CID 67574475) is 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is O=C1Nc2ncccc2CN1N=Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is QFNILSHQHKNXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13-17-12-10(4-3-7-15-12)9-18(13)16-8-11-5-1-2-6-14-11/h1-8H,9H2,(H,15,17,19).
What are the key properties of 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one?
3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 253.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethylideneamino)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67574475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).