2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide

C14H21N3O2 — CID 163924526

IUPAC2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
SMILESCn1nc2c(cc1=O)CC(NC(=O)C(C)(C)C)CC2
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13(19)15-10-5-6-11-9(7-10)8-12(18)17(4)16-11/h8,10H,5-7H2,1-4H3,(H,15,19)
InChIKeyRDHKWLQGMCYRRF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds1

About 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide

2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide (PubChem CID 163924526) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
PubChem CID163924526
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
SMILESCn1nc2c(cc1=O)CC(NC(=O)C(C)(C)C)CC2
InChIInChI=1S/C14H21N3O2/c1-14(2,3)13(19)15-10-5-6-11-9(7-10)8-12(18)17(4)16-11/h8,10H,5-7H2,1-4H3,(H,15,19)
InChIKeyRDHKWLQGMCYRRF-UHFFFAOYSA-N
XLogP0.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide (CID 163924526) is 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide is Cn1nc2c(cc1=O)CC(NC(=O)C(C)(C)C)CC2.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide?
The InChIKey is RDHKWLQGMCYRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)13(19)15-10-5-6-11-9(7-10)8-12(18)17(4)16-11/h8,10H,5-7H2,1-4H3,(H,15,19).
What are the key properties of 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide?
2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide is sourced from PubChem (CID 163924526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).