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

C20H25N3O2 — CID 176977671

IUPACN,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
SMILESCCN(CC)C(=O)C1C=C2c3c(OC)ccc4ccn(c34)CC2NC1
InChIInChI=1S/C20H25N3O2/c1-4-22(5-2)20(24)14-10-15-16(21-11-14)12-23-9-8-13-6-7-17(25-3)18(15)19(13)23/h6-10,14,16,21H,4-5,11-12H2,1-3H3
InChIKeyCKLTWZWQSHQXIQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.50
Rot. Bonds4

About 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

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 (PubChem CID 176977671) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID176977671
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN,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
SMILESCCN(CC)C(=O)C1C=C2c3c(OC)ccc4ccn(c34)CC2NC1
InChIInChI=1S/C20H25N3O2/c1-4-22(5-2)20(24)14-10-15-16(21-11-14)12-23-9-8-13-6-7-17(25-3)18(15)19(13)23/h6-10,14,16,21H,4-5,11-12H2,1-3H3
InChIKeyCKLTWZWQSHQXIQ-UHFFFAOYSA-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 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 with MolForge

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Related Compounds

(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
(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
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-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
(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
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
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
N,N-diethyl-5-(4-methoxy-1H-indol-7-yl)-1-methyl-3,6-dihydro-2H-pyridine-3-carboxamide
CID 176977741
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
(9R)-N,N-diethyl-7-[(2-methoxyphenyl)methyl]-6a-methyl-4,6,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 171536868
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)C1C=C2c3c(OC)ccc4ccn(c34)CC2NC1.
What is the InChIKey of 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?
The InChIKey is CKLTWZWQSHQXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-22(5-2)20(24)14-10-15-16(21-11-14)12-23-9-8-13-6-7-17(25-3)18(15)19(13)23/h6-10,14,16,21H,4-5,11-12H2,1-3H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176977671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).