1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C19H25N3O3 — CID 4731167

IUPAC1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1cccc(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)n1
InChIInChI=1S/C19H25N3O3/c1-12-7-6-8-13(20-12)21-14(23)17(2)9-18(3)11-19(4,10-17)16(25)22(5)15(18)24/h6-8H,9-11H2,1-5H3,(H,20,21,23)
InChIKeyRDQYFZMKTVUSNW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds2

About 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 4731167) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID4731167
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESCc1cccc(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)n1
InChIInChI=1S/C19H25N3O3/c1-12-7-6-8-13(20-12)21-14(23)17(2)9-18(3)11-19(4,10-17)16(25)22(5)15(18)24/h6-8H,9-11H2,1-5H3,(H,20,21,23)
InChIKeyRDQYFZMKTVUSNW-UHFFFAOYSA-N
XLogP2.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731258
1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097117
3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide
CID 174197870
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(6-amino-2-pyridinyl)-1-methylcyclopropane-1-carboxamide
CID 166314352
15-methyl-N-(6-methyl-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596312
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
CID 120937717
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
1-ethoxy-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 154739227
1-[(2-methylpyrazol-3-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507942

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 4731167) is 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is Cc1cccc(NC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)N(C)C3=O)n1.
What is the InChIKey of 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is RDQYFZMKTVUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-7-6-8-13(20-12)21-14(23)17(2)9-18(3)11-19(4,10-17)16(25)22(5)15(18)24/h6-8H,9-11H2,1-5H3,(H,20,21,23).
What are the key properties of 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 4731167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).