N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide

C20H24N4O3 — CID 73295145

IUPACN-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
SMILESCC(C)N1CC[C@H](CN)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
InChIInChI=1S/C20H24N4O3/c1-13(2)24-11-8-15(12-21)27-18-16(20(24)26)4-3-5-17(18)23-19(25)14-6-9-22-10-7-14/h3-7,9-10,13,15H,8,11-12,21H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyQOQMVRGIAIIBEH-OAHLLOKOSA-N
MW368.44 g/mol
LogP2.29
Rot. Bonds4

About N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide

N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide (PubChem CID 73295145) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
PubChem CID73295145
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
SMILESCC(C)N1CC[C@H](CN)Oc2c(NC(=O)c3ccncc3)cccc2C1=O
InChIInChI=1S/C20H24N4O3/c1-13(2)24-11-8-15(12-21)27-18-16(20(24)26)4-3-5-17(18)23-19(25)14-6-9-22-10-7-14/h3-7,9-10,13,15H,8,11-12,21H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyQOQMVRGIAIIBEH-OAHLLOKOSA-N
XLogP2.29
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-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-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide (CID 73295145) is N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide is CC(C)N1CC[C@H](CN)Oc2c(NC(=O)c3ccncc3)cccc2C1=O.
What is the InChIKey of N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide?
The InChIKey is QOQMVRGIAIIBEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)24-11-8-15(12-21)27-18-16(20(24)26)4-3-5-17(18)23-19(25)14-6-9-22-10-7-14/h3-7,9-10,13,15H,8,11-12,21H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide?
N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(aminomethyl)-6-oxo-5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide is sourced from PubChem (CID 73295145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).