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

C22H24N4O2 — CID 10045078

IUPACN-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C22H24N4O2/c1-13-15-7-9-23-21(22(28)24-8-4-10-26(2)3)17(15)12-18-16-11-14(27)5-6-19(16)25-20(13)18/h5-7,9,11-12,25,27H,4,8,10H2,1-3H3,(H,24,28)
InChIKeyPMKKKOMRNAGSHE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.56
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 10045078) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
PubChem CID10045078
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C22H24N4O2/c1-13-15-7-9-23-21(22(28)24-8-4-10-26(2)3)17(15)12-18-16-11-14(27)5-6-19(16)25-20(13)18/h5-7,9,11-12,25,27H,4,8,10H2,1-3H3,(H,24,28)
InChIKeyPMKKKOMRNAGSHE-UHFFFAOYSA-N
XLogP3.56
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide (CID 10045078) is N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is PMKKKOMRNAGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-15-7-9-23-21(22(28)24-8-4-10-26(2)3)17(15)12-18-16-11-14(27)5-6-19(16)25-20(13)18/h5-7,9,11-12,25,27H,4,8,10H2,1-3H3,(H,24,28).
What are the key properties of N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 10045078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).