N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide

C21H22N4O2 — CID 10044194

IUPACN-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C21H22N4O2/c1-12-14-6-7-22-20(21(27)23-8-9-25(2)3)16(14)11-17-15-10-13(26)4-5-18(15)24-19(12)17/h4-7,10-11,24,26H,8-9H2,1-3H3,(H,23,27)
InChIKeyIOMRZKILEJIZJX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide

N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 10044194) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
PubChem CID10044194
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12
InChIInChI=1S/C21H22N4O2/c1-12-14-6-7-22-20(21(27)23-8-9-25(2)3)16(14)11-17-15-10-13(26)4-5-18(15)24-19(12)17/h4-7,10-11,24,26H,8-9H2,1-3H3,(H,23,27)
InChIKeyIOMRZKILEJIZJX-UHFFFAOYSA-N
XLogP3.17
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide (CID 10044194) is N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c1[nH]c1ccc(O)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is IOMRZKILEJIZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12-14-6-7-22-20(21(27)23-8-9-25(2)3)16(14)11-17-15-10-13(26)4-5-18(15)24-19(12)17/h4-7,10-11,24,26H,8-9H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide?
N-[2-(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 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-hydroxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 10044194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).