(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

C19H23N3O — CID 171093489

IUPAC(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
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4ccn(c34)CC2NC1
InChIInChI=1S/C19H23N3O/c1-3-21(4-2)19(23)14-10-16-15-7-5-6-13-8-9-22(18(13)15)12-17(16)20-11-14/h5-10,14,17,20H,3-4,11-12H2,1-2H3/t14-,17?/m1/s1
InChIKeyRFFIUELIXPYITK-XPCCGILXSA-N
MW309.41 g/mol
LogP2.49
Rot. Bonds3

About (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

(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 (PubChem CID 171093489) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171093489
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(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
SMILESCCN(CC)C(=O)[C@@H]1C=C2c3cccc4ccn(c34)CC2NC1
InChIInChI=1S/C19H23N3O/c1-3-21(4-2)19(23)14-10-16-15-7-5-6-13-8-9-22(18(13)15)12-17(16)20-11-14/h5-10,14,17,20H,3-4,11-12H2,1-2H3/t14-,17?/m1/s1
InChIKeyRFFIUELIXPYITK-XPCCGILXSA-N
XLogP2.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 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
(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
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
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
(6aR)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 22294663
N,N-diethyl-6,6,7-trimethyl-9-aza-6-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977724
1-[(4S,7R)-6-methyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaen-4-yl]ethanone
CID 174243789
(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
(4R)-N,N-diethyl-6,11-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,10,12(16),13-pentaene-4-carboxamide
CID 176977745
CID 167513644
CID 167513644
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCN(CC)C(=O)[C@@H]1C=C2c3cccc4ccn(c34)CC2NC1.
What is the InChIKey of (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?
The InChIKey is RFFIUELIXPYITK-XPCCGILXSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-21(4-2)19(23)14-10-16-15-7-5-6-13-8-9-22(18(13)15)12-17(16)20-11-14/h5-10,14,17,20H,3-4,11-12H2,1-2H3/t14-,17?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 309.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171093489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).