2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid

C12H16N4O3 — CID 22954619

IUPAC2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid
SMILESCNC1CN(C)c2ncccc2N(CC(=O)O)C1=O
InChIInChI=1S/C12H16N4O3/c1-13-8-6-15(2)11-9(4-3-5-14-11)16(12(8)19)7-10(17)18/h3-5,8,13H,6-7H2,1-2H3,(H,17,18)
InChIKeyOQGCRJZTRCMJDP-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.46
Rot. Bonds3

About 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid

2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid (PubChem CID 22954619) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid
PubChem CID22954619
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid
SMILESCNC1CN(C)c2ncccc2N(CC(=O)O)C1=O
InChIInChI=1S/C12H16N4O3/c1-13-8-6-15(2)11-9(4-3-5-14-11)16(12(8)19)7-10(17)18/h3-5,8,13H,6-7H2,1-2H3,(H,17,18)
InChIKeyOQGCRJZTRCMJDP-UHFFFAOYSA-N
XLogP-0.46
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid with MolForge

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Related Compounds

(3S)-3-[[2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetyl]amino]-4-oxobutanoic acid
CID 59902481
(3S)-3-[[2-[(3S)-1-methyl-3-(methylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid
CID 59947604
methyl 2-(3-methyl-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetate
CID 71021477
N-[(1R,2S)-2-methylcyclohexyl]-2-[(6R)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
CID 92583873
CID 59456999
CID 59456999
2-[(3S)-1-acetyl-3-benzamido-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid
CID 18396555
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
CID 110214253
argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea
CID 159405700
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one
CID 46952617
tert-butyl N-[1-methyl-5-[2-(N-methylanilino)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
CID 21201913
(7S)-5-(2-hydroxyethyl)-7-(methylamino)-7H-pyrido[2,3-d][3]benzazepin-6-one
CID 167096419
2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid
CID 2756038

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid (CID 22954619) is 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid is CNC1CN(C)c2ncccc2N(CC(=O)O)C1=O.
What is the InChIKey of 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid?
The InChIKey is OQGCRJZTRCMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-13-8-6-15(2)11-9(4-3-5-14-11)16(12(8)19)7-10(17)18/h3-5,8,13H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid?
2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(methylamino)-2-oxo-3,4-dihydropyrido[2,3-b][1,4]diazepin-1-yl]acetic acid is sourced from PubChem (CID 22954619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).