N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide

C23H29N5O2 — CID 9424594

IUPACN-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide
SMILESCN1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccn4)ccc(=O)n2C3)CC1
InChIInChI=1S/C23H29N5O2/c1-26-10-7-18(8-11-26)27-13-16-12-17(15-27)22-19(5-6-21(29)28(22)14-16)25-23(30)20-4-2-3-9-24-20/h2-6,9,16-18H,7-8,10-15H2,1H3,(H,25,30)/t16-,17+/m0/s1
InChIKeyFVJHGFKBTGWITM-DLBZAZTESA-N
MW407.52 g/mol
LogP2.01
Rot. Bonds3

About N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide

N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide (PubChem CID 9424594) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide
PubChem CID9424594
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide
SMILESCN1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccn4)ccc(=O)n2C3)CC1
InChIInChI=1S/C23H29N5O2/c1-26-10-7-18(8-11-26)27-13-16-12-17(15-27)22-19(5-6-21(29)28(22)14-16)25-23(30)20-4-2-3-9-24-20/h2-6,9,16-18H,7-8,10-15H2,1H3,(H,25,30)/t16-,17+/m0/s1
InChIKeyFVJHGFKBTGWITM-DLBZAZTESA-N
XLogP2.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide (CID 9424594) is N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide is CN1CCC(N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4ccccn4)ccc(=O)n2C3)CC1.
What is the InChIKey of N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide?
The InChIKey is FVJHGFKBTGWITM-DLBZAZTESA-N. The full InChI is InChI=1S/C23H29N5O2/c1-26-10-7-18(8-11-26)27-13-16-12-17(15-27)22-19(5-6-21(29)28(22)14-16)25-23(30)20-4-2-3-9-24-20/h2-6,9,16-18H,7-8,10-15H2,1H3,(H,25,30)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide?
N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,9S)-11-(1-methylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 9424594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).