(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide

C18H18N4O2 — CID 171625575

IUPAC(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(n3cnnc13)CC[C@@H]2C
InChIInChI=1S/C18H18N4O2/c1-11-7-8-15-12(11)9-13(17-21-19-10-22(15)17)18(23)20-14-5-3-4-6-16(14)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyBUPKHNYZCRJWPC-NSHDSACASA-N
MW322.37 g/mol
LogP3.04
Rot. Bonds3

About (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide

(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide (PubChem CID 171625575) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide
PubChem CID171625575
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(n3cnnc13)CC[C@@H]2C
InChIInChI=1S/C18H18N4O2/c1-11-7-8-15-12(11)9-13(17-21-19-10-22(15)17)18(23)20-14-5-3-4-6-16(14)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyBUPKHNYZCRJWPC-NSHDSACASA-N
XLogP3.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide with MolForge

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Related Compounds

(5S)-N-(5-methoxypyrimidin-2-yl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide
CID 171625494
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
(2R)-N-(2-methoxyphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7675647
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771
ethane;(2-methoxyphenyl)urea
CID 143063924

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide?
The IUPAC name of (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide (CID 171625575) is (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide.
What is the SMILES notation for (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide?
The canonical SMILES for (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide is COc1ccccc1NC(=O)c1cc2c(n3cnnc13)CC[C@@H]2C.
What is the InChIKey of (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide?
The InChIKey is BUPKHNYZCRJWPC-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-8-15-12(11)9-13(17-21-19-10-22(15)17)18(23)20-14-5-3-4-6-16(14)24-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,23)/t11-/m0/s1.
What are the key properties of (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide?
(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide is sourced from PubChem (CID 171625575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).