N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide

C23H24N4O3 — CID 155901238

IUPACN-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide
SMILESCNC(=O)CC(=O)N1C[C@H](Oc2ccccn2)[C@H]2C[C@@H]1Cc1c2[nH]c2ccccc12
InChIInChI=1S/C23H24N4O3/c1-24-20(28)12-22(29)27-13-19(30-21-8-4-5-9-25-21)17-11-14(27)10-16-15-6-2-3-7-18(15)26-23(16)17/h2-9,14,17,19,26H,10-13H2,1H3,(H,24,28)/t14-,17+,19-/m0/s1
InChIKeyBIMWHQZBALJMLU-YJLNNSPDSA-N
MW404.47 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide

N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide (PubChem CID 155901238) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide
PubChem CID155901238
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide
SMILESCNC(=O)CC(=O)N1C[C@H](Oc2ccccn2)[C@H]2C[C@@H]1Cc1c2[nH]c2ccccc12
InChIInChI=1S/C23H24N4O3/c1-24-20(28)12-22(29)27-13-19(30-21-8-4-5-9-25-21)17-11-14(27)10-16-15-6-2-3-7-18(15)26-23(16)17/h2-9,14,17,19,26H,10-13H2,1H3,(H,24,28)/t14-,17+,19-/m0/s1
InChIKeyBIMWHQZBALJMLU-YJLNNSPDSA-N
XLogP2.39
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide?
The IUPAC name of N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide (CID 155901238) is N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide.
What is the SMILES notation for N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide?
The canonical SMILES for N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide is CNC(=O)CC(=O)N1C[C@H](Oc2ccccn2)[C@H]2C[C@@H]1Cc1c2[nH]c2ccccc12.
What is the InChIKey of N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide?
The InChIKey is BIMWHQZBALJMLU-YJLNNSPDSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-24-20(28)12-22(29)27-13-19(30-21-8-4-5-9-25-21)17-11-14(27)10-16-15-6-2-3-7-18(15)26-23(16)17/h2-9,14,17,19,26H,10-13H2,1H3,(H,24,28)/t14-,17+,19-/m0/s1.
What are the key properties of N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide?
N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-3-[(1S,12R,15R)-15-pyridin-2-yloxy-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-13-yl]propanamide is sourced from PubChem (CID 155901238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).