N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

C24H24N4O3 — CID 169029714

IUPACN-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESC[C@H](CN1CC[C@@H](O)C1)NC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
InChIInChI=1S/C24H24N4O3/c1-15(13-27-12-10-17(29)14-27)25-23(30)20-7-4-11-28-22(20)26-21-18-6-3-2-5-16(18)8-9-19(21)24(28)31/h2-9,11,15,17,29H,10,12-14H2,1H3,(H,25,30)/t15-,17-/m1/s1
InChIKeyCHXMOIOKJSWOEI-NVXWUHKLSA-N
MW416.48 g/mol
LogP2.19
Rot. Bonds4

About N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (PubChem CID 169029714) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
PubChem CID169029714
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESC[C@H](CN1CC[C@@H](O)C1)NC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12
InChIInChI=1S/C24H24N4O3/c1-15(13-27-12-10-17(29)14-27)25-23(30)20-7-4-11-28-22(20)26-21-18-6-3-2-5-16(18)8-9-19(21)24(28)31/h2-9,11,15,17,29H,10,12-14H2,1H3,(H,25,30)/t15-,17-/m1/s1
InChIKeyCHXMOIOKJSWOEI-NVXWUHKLSA-N
XLogP2.19
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The IUPAC name of N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (CID 169029714) is N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The canonical SMILES for N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is C[C@H](CN1CC[C@@H](O)C1)NC(=O)c1cccn2c(=O)c3ccc4ccccc4c3nc12.
What is the InChIKey of N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The InChIKey is CHXMOIOKJSWOEI-NVXWUHKLSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(13-27-12-10-17(29)14-27)25-23(30)20-7-4-11-28-22(20)26-21-18-6-3-2-5-16(18)8-9-19(21)24(28)31/h2-9,11,15,17,29H,10,12-14H2,1H3,(H,25,30)/t15-,17-/m1/s1.
What are the key properties of N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-2-yl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is sourced from PubChem (CID 169029714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).