(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide

C20H25N3O2 — CID 176977656

IUPAC(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3ccc(OC)c4ccn(c34)CC2NC1
InChIInChI=1S/C20H25N3O2/c1-4-22(5-2)20(24)13-10-16-14-6-7-18(25-3)15-8-9-23(19(14)15)12-17(16)21-11-13/h6-10,13,17,21H,4-5,11-12H2,1-3H3/t13-,17?/m1/s1
InChIKeyZQCBCPMJVWLGHJ-FWJOYPJLSA-N
MW339.44 g/mol
LogP2.50
Rot. Bonds4

About (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide

(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide (PubChem CID 176977656) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide.

Molecular Properties

Compound Name(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
PubChem CID176977656
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3ccc(OC)c4ccn(c34)CC2NC1
InChIInChI=1S/C20H25N3O2/c1-4-22(5-2)20(24)13-10-16-14-6-7-18(25-3)15-8-9-23(19(14)15)12-17(16)21-11-13/h6-10,13,17,21H,4-5,11-12H2,1-3H3/t13-,17?/m1/s1
InChIKeyZQCBCPMJVWLGHJ-FWJOYPJLSA-N
XLogP2.50
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide with MolForge

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Related Compounds

N,N-diethyl-13-fluoro-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
CID 176977708
N,N-diethyl-15-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977671
(4R)-N,N-diethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 171093489
(6aR)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 22294663
N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide
CID 176977741
N,N-diethyl-6-propan-2-yl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977623
6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaen-4-yl(pyrrolidin-1-yl)methanone;(6-methyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaen-4-yl)-piperidin-1-ylmethanone
CID 176977625
(4R,7S)-14-chloro-N,N-diethyl-6-methyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
CID 176977727
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
(6aR,9R)-N,N-diethyl-2-methoxy-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 170213107
(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide
CID 176678023
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide?
The IUPAC name of (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide (CID 176977656) is (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide.
What is the SMILES notation for (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide?
The canonical SMILES for (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide is CCN(CC)C(=O)[C@@H]1C=C2c3ccc(OC)c4ccn(c34)CC2NC1.
What is the InChIKey of (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide?
The InChIKey is ZQCBCPMJVWLGHJ-FWJOYPJLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-22(5-2)20(24)13-10-16-14-6-7-18(25-3)15-8-9-23(19(14)15)12-17(16)21-11-13/h6-10,13,17,21H,4-5,11-12H2,1-3H3/t13-,17?/m1/s1.
What are the key properties of (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide?
(4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-13-methoxy-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide is sourced from PubChem (CID 176977656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).