N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide

C21H22N4O2 — CID 18982852

IUPACN-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NC(C)N(C)C)c2cc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C21H22N4O2/c1-11-14-7-8-22-20(21(27)23-12(2)25(3)4)16(14)10-17-15-9-13(26)5-6-18(15)24-19(11)17/h5-10,12,24,26H,1-4H3,(H,23,27)
InChIKeyOWWLVDFIACACIZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.52
Rot. Bonds3

About N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide

N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 18982852) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
PubChem CID18982852
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NC(C)N(C)C)c2cc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C21H22N4O2/c1-11-14-7-8-22-20(21(27)23-12(2)25(3)4)16(14)10-17-15-9-13(26)5-6-18(15)24-19(11)17/h5-10,12,24,26H,1-4H3,(H,23,27)
InChIKeyOWWLVDFIACACIZ-UHFFFAOYSA-N
XLogP3.52
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide (CID 18982852) is N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NC(C)N(C)C)c2cc2c1[nH]c1ccc(O)cc12.
What is the InChIKey of N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is OWWLVDFIACACIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-11-14-7-8-22-20(21(27)23-12(2)25(3)4)16(14)10-17-15-9-13(26)5-6-18(15)24-19(11)17/h5-10,12,24,26H,1-4H3,(H,23,27).
What are the key properties of N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 18982852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).