2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide

C14H18N4O2 — CID 143512808

IUPAC2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
SMILESC=CNC(C)(CN1Cc2cccnc2C1=O)C(=O)NC
InChIInChI=1S/C14H18N4O2/c1-4-17-14(2,13(20)15-3)9-18-8-10-6-5-7-16-11(10)12(18)19/h4-7,17H,1,8-9H2,2-3H3,(H,15,20)
InChIKeyZWQKFGNLQQAKHQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.28
Rot. Bonds5

About 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide

2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide (PubChem CID 143512808) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
PubChem CID143512808
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide
SMILESC=CNC(C)(CN1Cc2cccnc2C1=O)C(=O)NC
InChIInChI=1S/C14H18N4O2/c1-4-17-14(2,13(20)15-3)9-18-8-10-6-5-7-16-11(10)12(18)19/h4-7,17H,1,8-9H2,2-3H3,(H,15,20)
InChIKeyZWQKFGNLQQAKHQ-UHFFFAOYSA-N
XLogP0.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide with MolForge

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Related Compounds

7-prop-2-enyl-5,6-dihydro-1,7-naphthyridin-8-one
CID 146344020
(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 100629638
ethane;6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 162520423
6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528373
6-[[4-[3-amino-4-(2-hydroxypropan-2-yl)-2-(methyliminomethyl)phenyl]-2-fluoro-6-methylphenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528496
6-[[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528097
6-[[2-fluoro-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528087
9-[(4-fluorophenyl)methyl]-11-hydroxy-7-methylidene-5,8-dihydropyrazino[1,2-g][1,6]naphthyridin-10-one
CID 58928668
CID 171528185
CID 171528185
6-(methylamino)-5,6-dihydrocyclopenta[b]pyridin-7-one
CID 58717484
2-(2-methylbut-3-en-2-yl)pyridine-3-carboxylic acid
CID 89358135
methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate
CID 68896178

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide?
The IUPAC name of 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide (CID 143512808) is 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide.
What is the SMILES notation for 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide?
The canonical SMILES for 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide is C=CNC(C)(CN1Cc2cccnc2C1=O)C(=O)NC.
What is the InChIKey of 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide?
The InChIKey is ZWQKFGNLQQAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-17-14(2,13(20)15-3)9-18-8-10-6-5-7-16-11(10)12(18)19/h4-7,17H,1,8-9H2,2-3H3,(H,15,20).
What are the key properties of 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide?
2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylamino)-N,2-dimethyl-3-(7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide is sourced from PubChem (CID 143512808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).