N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide

C21H19N3O — CID 57335913

IUPACN-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cc3c(cc2C)[nH]c2cnccc23)c1
InChIInChI=1S/C21H19N3O/c1-13-8-20-19(17-6-7-22-12-21(17)24-20)10-18(13)16-5-3-4-15(9-16)11-23-14(2)25/h3-10,12,24H,11H2,1-2H3,(H,23,25)
InChIKeyXWFBQUCBYSCMLX-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.33
Rot. Bonds3

About N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide

N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide (PubChem CID 57335913) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide
PubChem CID57335913
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cc3c(cc2C)[nH]c2cnccc23)c1
InChIInChI=1S/C21H19N3O/c1-13-8-20-19(17-6-7-22-12-21(17)24-20)10-18(13)16-5-3-4-15(9-16)11-23-14(2)25/h3-10,12,24H,11H2,1-2H3,(H,23,25)
InChIKeyXWFBQUCBYSCMLX-UHFFFAOYSA-N
XLogP4.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[4-(4-phenoxyphenoxy)-3-pyridinyl]phenyl]methyl]acetamide
CID 129142524
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[[3-[2-(methylamino)-4-pyridinyl]phenyl]methyl]acetamide
CID 123422465
N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 66854704
N-[[3-(6-amino-3-pyridinyl)phenyl]methyl]acetamide
CID 90125227
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide
CID 7206823
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092
N-[[4-[2-[3-[3-(methanesulfonamidomethyl)phenyl]phenyl]phenyl]phenyl]methyl]acetamide
CID 173090608
2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 173044703
7-methyl-3-(methylsulfonylmethyl)-6-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 58532914

Frequently Asked Questions

What is the IUPAC name of N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide (CID 57335913) is N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2cc3c(cc2C)[nH]c2cnccc23)c1.
What is the InChIKey of N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide?
The InChIKey is XWFBQUCBYSCMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13-8-20-19(17-6-7-22-12-21(17)24-20)10-18(13)16-5-3-4-15(9-16)11-23-14(2)25/h3-10,12,24H,11H2,1-2H3,(H,23,25).
What are the key properties of N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide?
N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(7-methyl-9H-pyrido[3,4-b]indol-6-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 57335913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).