N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide

C24H23N5O3 — CID 142612328

IUPACN,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Nc3cnc4c(c3)N3C(=O)CC[C@H]3CO4)nc2)cc1
InChIInChI=1S/C24H23N5O3/c1-28(2)24(31)16-5-3-15(4-6-16)17-7-9-21(25-12-17)27-18-11-20-23(26-13-18)32-14-19-8-10-22(30)29(19)20/h3-7,9,11-13,19H,8,10,14H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyOVHKTMODRHVYCR-IBGZPJMESA-N
MW429.48 g/mol
LogP3.48
Rot. Bonds4

About N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide

N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide (PubChem CID 142612328) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide
PubChem CID142612328
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Nc3cnc4c(c3)N3C(=O)CC[C@H]3CO4)nc2)cc1
InChIInChI=1S/C24H23N5O3/c1-28(2)24(31)16-5-3-15(4-6-16)17-7-9-21(25-12-17)27-18-11-20-23(26-13-18)32-14-19-8-10-22(30)29(19)20/h3-7,9,11-13,19H,8,10,14H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeyOVHKTMODRHVYCR-IBGZPJMESA-N
XLogP3.48
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide (CID 142612328) is N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide is CN(C)C(=O)c1ccc(-c2ccc(Nc3cnc4c(c3)N3C(=O)CC[C@H]3CO4)nc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide?
The InChIKey is OVHKTMODRHVYCR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N5O3/c1-28(2)24(31)16-5-3-15(4-6-16)17-7-9-21(25-12-17)27-18-11-20-23(26-13-18)32-14-19-8-10-22(30)29(19)20/h3-7,9,11-13,19H,8,10,14H2,1-2H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide?
N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[[(6S)-3-oxo-8-oxa-2,10-diazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-12-yl]amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 142612328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).