(10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide

C22H24N6O3 — CID 167845013

IUPAC(10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
SMILESCNC(=O)c1ccc2c(n1)OC[C@@H]1CN(CC3=CC4=NC(=O)C(C)=CC4N=C3)CCN21
InChIInChI=1S/C22H24N6O3/c1-13-7-17-18(25-20(13)29)8-14(9-24-17)10-27-5-6-28-15(11-27)12-31-22-19(28)4-3-16(26-22)21(30)23-2/h3-4,7-9,15,17H,5-6,10-12H2,1-2H3,(H,23,30)/t15-,17?/m0/s1
InChIKeyWPZQDKOEKSUQJR-MYJWUSKBSA-N
MW420.47 g/mol
LogP0.63
Rot. Bonds3

About (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide

(10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide (PubChem CID 167845013) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide.

Molecular Properties

Compound Name(10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
PubChem CID167845013
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name(10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
SMILESCNC(=O)c1ccc2c(n1)OC[C@@H]1CN(CC3=CC4=NC(=O)C(C)=CC4N=C3)CCN21
InChIInChI=1S/C22H24N6O3/c1-13-7-17-18(25-20(13)29)8-14(9-24-17)10-27-5-6-28-15(11-27)12-31-22-19(28)4-3-16(26-22)21(30)23-2/h3-4,7-9,15,17H,5-6,10-12H2,1-2H3,(H,23,30)/t15-,17?/m0/s1
InChIKeyWPZQDKOEKSUQJR-MYJWUSKBSA-N
XLogP0.63
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 167844988
5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide
CID 167844996
N-methyl-5-[4-[(1S)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 167845050
13-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-N-methyl-9-oxa-1,6,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
CID 166138953
5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 169490245
N-(2,6-dioxopiperidin-3-yl)-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 170727346
N,6-dimethyl-5-[4-[(3-methyl-2-oxo-1H-thieno[2,3-b]pyrazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 171484069
N-methyl-9-oxo-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 171471349
5-[4-[(3-ethyl-8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 168900134
N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 167845053
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
N-[(3S)-2,6-dioxopiperidin-3-yl]-12-[[(3R)-8-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 170728567

Frequently Asked Questions

What is the IUPAC name of (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
The IUPAC name of (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide (CID 167845013) is (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide.
What is the SMILES notation for (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
The canonical SMILES for (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide is CNC(=O)c1ccc2c(n1)OC[C@@H]1CN(CC3=CC4=NC(=O)C(C)=CC4N=C3)CCN21.
What is the InChIKey of (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
The InChIKey is WPZQDKOEKSUQJR-MYJWUSKBSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-7-17-18(25-20(13)29)8-14(9-24-17)10-27-5-6-28-15(11-27)12-31-22-19(28)4-3-16(26-22)21(30)23-2/h3-4,7-9,15,17H,5-6,10-12H2,1-2H3,(H,23,30)/t15-,17?/m0/s1.
What are the key properties of (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide?
(10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-N-methyl-12-[(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-8-oxa-1,6,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide is sourced from PubChem (CID 167845013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).