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

C22H29N3O — CID 176977623

IUPACN,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
SMILESCCN(CC)C(=O)C1C=C2c3cccc4ccn(c34)CC2N(C(C)C)C1
InChIInChI=1S/C22H29N3O/c1-5-23(6-2)22(26)17-12-19-18-9-7-8-16-10-11-24(21(16)18)14-20(19)25(13-17)15(3)4/h7-12,15,17,20H,5-6,13-14H2,1-4H3
InChIKeyKBEBZNJJJLXVOO-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.62
Rot. Bonds4

About 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

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 (PubChem CID 176977623) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID176977623
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN,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
SMILESCCN(CC)C(=O)C1C=C2c3cccc4ccn(c34)CC2N(C(C)C)C1
InChIInChI=1S/C22H29N3O/c1-5-23(6-2)22(26)17-12-19-18-9-7-8-16-10-11-24(21(16)18)14-20(19)25(13-17)15(3)4/h7-12,15,17,20H,5-6,13-14H2,1-4H3
InChIKeyKBEBZNJJJLXVOO-UHFFFAOYSA-N
XLogP3.62
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

(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
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
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
N,N-diethyl-5,5a-dihydroxy-7-propyl-4,5,6,6a,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 169048317
CID 168945046
CID 168945046
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 3981
CID 167513644
CID 167513644
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
(9R)-4-acetyl-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 168945021
CID 174960263
CID 174960263

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)C1C=C2c3cccc4ccn(c34)CC2N(C(C)C)C1.
What is the InChIKey of 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?
The InChIKey is KBEBZNJJJLXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-5-23(6-2)22(26)17-12-19-18-9-7-8-16-10-11-24(21(16)18)14-20(19)25(13-17)15(3)4/h7-12,15,17,20H,5-6,13-14H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 351.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176977623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).