N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

C25H21N5O3 — CID 10646721

IUPACN-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2
InChIInChI=1S/C25H21N5O3/c1-15(31)27-19-13-18-9-12-30-22(18)20(14-19)21(16-5-3-2-4-6-16)28-23(25(30)33)29-24(32)17-7-10-26-11-8-17/h2-8,10-11,13-14,23H,9,12H2,1H3,(H,27,31)(H,29,32)/t23-/m0/s1
InChIKeyLZXIKYNEHKHNCH-QHCPKHFHSA-N
MW439.48 g/mol
LogP2.54
Rot. Bonds4

About N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (PubChem CID 10646721) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
PubChem CID10646721
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC NameN-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2
InChIInChI=1S/C25H21N5O3/c1-15(31)27-19-13-18-9-12-30-22(18)20(14-19)21(16-5-3-2-4-6-16)28-23(25(30)33)29-24(32)17-7-10-26-11-8-17/h2-8,10-11,13-14,23H,9,12H2,1H3,(H,27,31)(H,29,32)/t23-/m0/s1
InChIKeyLZXIKYNEHKHNCH-QHCPKHFHSA-N
XLogP2.54
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (CID 10646721) is N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is CC(=O)Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.
What is the InChIKey of N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?
The InChIKey is LZXIKYNEHKHNCH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-15(31)27-19-13-18-9-12-30-22(18)20(14-19)21(16-5-3-2-4-6-16)28-23(25(30)33)29-24(32)17-7-10-26-11-8-17/h2-8,10-11,13-14,23H,9,12H2,1H3,(H,27,31)(H,29,32)/t23-/m0/s1.
What are the key properties of N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?
N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(11R)-6-acetamido-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is sourced from PubChem (CID 10646721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).