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

C19H22FN3O — CID 176977708

IUPACN,N-diethyl-13-fluoro-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)C1C=C2c3ccc(F)c4ccn(c34)CC2NC1
InChIInChI=1S/C19H22FN3O/c1-3-22(4-2)19(24)12-9-15-13-5-6-16(20)14-7-8-23(18(13)14)11-17(15)21-10-12/h5-9,12,17,21H,3-4,10-11H2,1-2H3
InChIKeyPRAZTAPZUNNZIK-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.63
Rot. Bonds3

About 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

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 (PubChem CID 176977708) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-diethyl-13-fluoro-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
PubChem CID176977708
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN,N-diethyl-13-fluoro-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene-4-carboxamide
SMILESCCN(CC)C(=O)C1C=C2c3ccc(F)c4ccn(c34)CC2NC1
InChIInChI=1S/C19H22FN3O/c1-3-22(4-2)19(24)12-9-15-13-5-6-16(20)14-7-8-23(18(13)14)11-17(15)21-10-12/h5-9,12,17,21H,3-4,10-11H2,1-2H3
InChIKeyPRAZTAPZUNNZIK-UHFFFAOYSA-N
XLogP2.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 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-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
(6aR)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 22294663
(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
(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene
CID 176977522
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
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
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(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)-N,N-diethyl-1-fluoro-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium-9-carboxamide
CID 164763866

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)C1C=C2c3ccc(F)c4ccn(c34)CC2NC1.
What is the InChIKey of 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?
The InChIKey is PRAZTAPZUNNZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-3-22(4-2)19(24)12-9-15-13-5-6-16(20)14-7-8-23(18(13)14)11-17(15)21-10-12/h5-9,12,17,21H,3-4,10-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 327.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176977708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).