(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide

C22H27N3O2 — CID 170763779

IUPAC(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3CC(=CN4C=O)CC2N(C)C1
InChIInChI=1S/C22H27N3O2/c1-4-24(5-2)22(27)16-11-19-17-7-6-8-20-18(17)9-15(12-25(20)14-26)10-21(19)23(3)13-16/h6-8,11-12,14,16,21H,4-5,9-10,13H2,1-3H3/t16-,21?/m1/s1
InChIKeyKUUXPJCCIKJDKG-UJONTBEJSA-N
MW365.48 g/mol
LogP2.68
Rot. Bonds4

About (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide

(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide (PubChem CID 170763779) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide
PubChem CID170763779
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3CC(=CN4C=O)CC2N(C)C1
InChIInChI=1S/C22H27N3O2/c1-4-24(5-2)22(27)16-11-19-17-7-6-8-20-18(17)9-15(12-25(20)14-26)10-21(19)23(3)13-16/h6-8,11-12,14,16,21H,4-5,9-10,13H2,1-3H3/t16-,21?/m1/s1
InChIKeyKUUXPJCCIKJDKG-UJONTBEJSA-N
XLogP2.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide with MolForge

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Related Compounds

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CID 168945021
CID 167513644
CID 167513644
(6aR,9R)-4-(cyclopropanecarbonyl)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 155884675
(6aR,9R)-4-(2-aminoacetyl)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 169001393
(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-4-propanoyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
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N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
(6aR,9R)-N,N-diethyl-5-fluoro-7-methyl-4-propanoyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 170763714
(6aR,9R)-4-(3-aminopropyl)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
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(6aR,9R)-4-acetyl-3,5-dideuterio-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
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(6aR,9R)-4-N,9-N,9-N-triethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-4,9-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide?
The IUPAC name of (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide (CID 170763779) is (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide.
What is the SMILES notation for (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide?
The canonical SMILES for (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide is CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3CC(=CN4C=O)CC2N(C)C1.
What is the InChIKey of (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide?
The InChIKey is KUUXPJCCIKJDKG-UJONTBEJSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-24(5-2)22(27)16-11-19-17-7-6-8-20-18(17)9-15(12-25(20)14-26)10-21(19)23(3)13-16/h6-8,11-12,14,16,21H,4-5,9-10,13H2,1-3H3/t16-,21?/m1/s1.
What are the key properties of (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide?
(4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-11-formyl-6-methyl-6,11-diazatetracyclo[7.6.2.02,7.012,16]heptadeca-1(16),2,9,12,14-pentaene-4-carboxamide is sourced from PubChem (CID 170763779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).