N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide

C22H22N4O — CID 167275060

IUPACN-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide
SMILESCNCc1ccc(CNC(=O)Cn2c3ccccc3c3cccnc32)cc1
InChIInChI=1S/C22H22N4O/c1-23-13-16-8-10-17(11-9-16)14-25-21(27)15-26-20-7-3-2-5-18(20)19-6-4-12-24-22(19)26/h2-12,23H,13-15H2,1H3,(H,25,27)
InChIKeyHSVKCWPYBSKWPK-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.23
Rot. Bonds6

About N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide

N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide (PubChem CID 167275060) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide
PubChem CID167275060
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide
SMILESCNCc1ccc(CNC(=O)Cn2c3ccccc3c3cccnc32)cc1
InChIInChI=1S/C22H22N4O/c1-23-13-16-8-10-17(11-9-16)14-25-21(27)15-26-20-7-3-2-5-18(20)19-6-4-12-24-22(19)26/h2-12,23H,13-15H2,1H3,(H,25,27)
InChIKeyHSVKCWPYBSKWPK-UHFFFAOYSA-N
XLogP3.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide?
The IUPAC name of N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide (CID 167275060) is N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide.
What is the SMILES notation for N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide?
The canonical SMILES for N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide is CNCc1ccc(CNC(=O)Cn2c3ccccc3c3cccnc32)cc1.
What is the InChIKey of N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide?
The InChIKey is HSVKCWPYBSKWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-23-13-16-8-10-17(11-9-16)14-25-21(27)15-26-20-7-3-2-5-18(20)19-6-4-12-24-22(19)26/h2-12,23H,13-15H2,1H3,(H,25,27).
What are the key properties of N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide?
N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide has a molecular weight of 358.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyrido[2,3-b]indol-9-ylacetamide is sourced from PubChem (CID 167275060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).