N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

C22H22F2N4O — CID 162755139

IUPACN-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(F)c(F)cc3n(C)c12
InChIInChI=1S/C22H22F2N4O/c1-12-13-5-6-25-20(22(29)26-7-8-27(2)3)15(13)9-16-14-10-17(23)18(24)11-19(14)28(4)21(12)16/h5-6,9-11H,7-8H2,1-4H3,(H,26,29)
InChIKeyOPSTVPKUIQMBFJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.76
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 162755139) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
PubChem CID162755139
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC NameN-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(F)c(F)cc3n(C)c12
InChIInChI=1S/C22H22F2N4O/c1-12-13-5-6-25-20(22(29)26-7-8-27(2)3)15(13)9-16-14-10-17(23)18(24)11-19(14)28(4)21(12)16/h5-6,9-11H,7-8H2,1-4H3,(H,26,29)
InChIKeyOPSTVPKUIQMBFJ-UHFFFAOYSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (CID 162755139) is N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(F)c(F)cc3n(C)c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is OPSTVPKUIQMBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-12-13-5-6-25-20(22(29)26-7-8-27(2)3)15(13)9-16-14-10-17(23)18(24)11-19(14)28(4)21(12)16/h5-6,9-11H,7-8H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 162755139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).