N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide

C19H17N3O2 — CID 77105820

IUPACN-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(CNC(C)=O)c21
InChIInChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)
InChIKeyRJJPKHZEICLSQD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.51
Rot. Bonds3

About N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide

N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide (PubChem CID 77105820) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide
PubChem CID77105820
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(CNC(C)=O)c21
InChIInChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)
InChIKeyRJJPKHZEICLSQD-UHFFFAOYSA-N
XLogP3.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide?
The IUPAC name of N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide (CID 77105820) is N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide?
The canonical SMILES for N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide is COc1ccc2c(c1)[nH]c1c3ccncc3cc(CNC(C)=O)c21.
What is the InChIKey of N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide?
The InChIKey is RJJPKHZEICLSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide?
N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methyl]acetamide is sourced from PubChem (CID 77105820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).