N-[3-(methylcarbamoyl)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

C23H24N6O2 — CID 162361952

IUPACN-[3-(methylcarbamoyl)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
SMILESCNC(=O)c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1
InChIInChI=1S/C23H24N6O2/c1-24-22(30)15-4-2-5-16(12-15)27-23(31)29-10-8-14(9-11-29)20-19-17-6-3-7-18(17)28-21(19)26-13-25-20/h2,4-5,8,12-13H,3,6-7,9-11H2,1H3,(H,24,30)(H,27,31)(H,25,26,28)
InChIKeyBPNCVDVDINSGCN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.13
Rot. Bonds3

About N-[3-(methylcarbamoyl)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-(methylcarbamoyl)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 162361952) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)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-(methylcarbamoyl)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 CID162361952
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[3-(methylcarbamoyl)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
SMILESCNC(=O)c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1
InChIInChI=1S/C23H24N6O2/c1-24-22(30)15-4-2-5-16(12-15)27-23(31)29-10-8-14(9-11-29)20-19-17-6-3-7-18(17)28-21(19)26-13-25-20/h2,4-5,8,12-13H,3,6-7,9-11H2,1H3,(H,24,30)(H,27,31)(H,25,26,28)
InChIKeyBPNCVDVDINSGCN-UHFFFAOYSA-N
XLogP3.13
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(methylcarbamoyl)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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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)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-(methylcarbamoyl)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 162361952) is N-[3-(methylcarbamoyl)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-(methylcarbamoyl)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-(methylcarbamoyl)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 CNC(=O)c1cccc(NC(=O)N2CC=C(c3ncnc4[nH]c5c(c34)CCC5)CC2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)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 BPNCVDVDINSGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-24-22(30)15-4-2-5-16(12-15)27-23(31)29-10-8-14(9-11-29)20-19-17-6-3-7-18(17)28-21(19)26-13-25-20/h2,4-5,8,12-13H,3,6-7,9-11H2,1H3,(H,24,30)(H,27,31)(H,25,26,28).
What are the key properties of N-[3-(methylcarbamoyl)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-(methylcarbamoyl)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 416.49 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)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 162361952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).