2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

C26H24N2O3 — CID 54581745

IUPAC2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1
InChIInChI=1S/C26H24N2O3/c1-27(26(31)19-11-10-17-6-2-3-7-18(17)14-19)20-12-13-24-22(15-25(29)30)21-8-4-5-9-23(21)28(24)16-20/h2-11,14,20H,12-13,15-16H2,1H3,(H,29,30)/t20-/m1/s1
InChIKeyDMKXYRKEZCMCCQ-HXUWFJFHSA-N
MW412.49 g/mol
LogP4.51
Rot. Bonds4

About 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (PubChem CID 54581745) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.

Molecular Properties

Compound Name2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
PubChem CID54581745
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1
InChIInChI=1S/C26H24N2O3/c1-27(26(31)19-11-10-17-6-2-3-7-18(17)14-19)20-12-13-24-22(15-25(29)30)21-8-4-5-9-23(21)28(24)16-20/h2-11,14,20H,12-13,15-16H2,1H3,(H,29,30)/t20-/m1/s1
InChIKeyDMKXYRKEZCMCCQ-HXUWFJFHSA-N
XLogP4.51
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The IUPAC name of 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (CID 54581745) is 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.
What is the SMILES notation for 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The canonical SMILES for 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1.
What is the InChIKey of 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The InChIKey is DMKXYRKEZCMCCQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-27(26(31)19-11-10-17-6-2-3-7-18(17)14-19)20-12-13-24-22(15-25(29)30)21-8-4-5-9-23(21)28(24)16-20/h2-11,14,20H,12-13,15-16H2,1H3,(H,29,30)/t20-/m1/s1.
What are the key properties of 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid has a molecular weight of 412.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-[methyl(naphthalene-2-carbonyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is sourced from PubChem (CID 54581745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).