(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

C19H17N3O2 — CID 92878708

IUPAC(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESC[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccnc4)cn1c23
InChIInChI=1S/C19H17N3O2/c1-12-8-14-5-2-6-15-17(14)22(12)11-16(18(15)23)19(24)21-10-13-4-3-7-20-9-13/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyGOYRWAXZMPKUAX-LBPRGKRZSA-N
MW319.36 g/mol
LogP2.44
Rot. Bonds3

About (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (PubChem CID 92878708) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
PubChem CID92878708
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
SMILESC[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccnc4)cn1c23
InChIInChI=1S/C19H17N3O2/c1-12-8-14-5-2-6-15-17(14)22(12)11-16(18(15)23)19(24)21-10-13-4-3-7-20-9-13/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyGOYRWAXZMPKUAX-LBPRGKRZSA-N
XLogP2.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide with MolForge

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Related Compounds

(2S)-2-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 100769694
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
2-(2-methoxyethyl)-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide
CID 5308909
1-(4-fluorophenyl)-4-oxo-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 70011453
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 7006971
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The IUPAC name of (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide (CID 92878708) is (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide.
What is the SMILES notation for (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The canonical SMILES for (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is C[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccnc4)cn1c23.
What is the InChIKey of (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
The InChIKey is GOYRWAXZMPKUAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-8-14-5-2-6-15-17(14)22(12)11-16(18(15)23)19(24)21-10-13-4-3-7-20-9-13/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide?
(2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-9-oxo-N-(pyridin-3-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide is sourced from PubChem (CID 92878708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).