9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one

C10H10N4O — CID 162345438

IUPAC9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one
SMILESC=NC1=CC(=O)Nc2c(C)ccnc2N1
InChIInChI=1S/C10H10N4O/c1-6-3-4-12-10-9(6)14-8(15)5-7(11-2)13-10/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyQHRCFYLJLWEDNR-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.30
Rot. Bonds1

About 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one

9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 162345438) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID162345438
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one
SMILESC=NC1=CC(=O)Nc2c(C)ccnc2N1
InChIInChI=1S/C10H10N4O/c1-6-3-4-12-10-9(6)14-8(15)5-7(11-2)13-10/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyQHRCFYLJLWEDNR-UHFFFAOYSA-N
XLogP1.30
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one (CID 162345438) is 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one is C=NC1=CC(=O)Nc2c(C)ccnc2N1.
What is the InChIKey of 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is QHRCFYLJLWEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-6-3-4-12-10-9(6)14-8(15)5-7(11-2)13-10/h3-5H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one?
9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 202.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(methylideneamino)-1,5-dihydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 162345438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).