N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C24H26N6O2 — CID 162362028

IUPACN-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1
InChIInChI=1S/C24H26N6O2/c1-29(2)23(31)16-5-3-6-17(13-16)27-24(32)30-11-9-15(10-12-30)21-20-18-7-4-8-19(18)28-22(20)26-14-25-21/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3,(H,27,32)(H,25,26,28)
InChIKeyJGQGDUHITHLEJR-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.47
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162362028) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162362028
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1
InChIInChI=1S/C24H26N6O2/c1-29(2)23(31)16-5-3-6-17(13-16)27-24(32)30-11-9-15(10-12-30)21-20-18-7-4-8-19(18)28-22(20)26-14-25-21/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3,(H,27,32)(H,25,26,28)
InChIKeyJGQGDUHITHLEJR-UHFFFAOYSA-N
XLogP3.47
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162362028) is N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CN(C)C(=O)c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is JGQGDUHITHLEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-29(2)23(31)16-5-3-6-17(13-16)27-24(32)30-11-9-15(10-12-30)21-20-18-7-4-8-19(18)28-22(20)26-14-25-21/h3,5-6,9,13-14H,4,7-8,10-12H2,1-2H3,(H,27,32)(H,25,26,28).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-4-(7,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162362028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).