3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide

C29H35N3O3 — CID 10435002

IUPAC3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCC(C(C)C)N1CC2C(C1)C2NCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C29H35N3O3/c1-5-24(17(2)3)32-14-22-23(15-32)25(22)30-16-31-29(34)21-13-9-12-20-26(33)18(4)27(35-28(20)21)19-10-7-6-8-11-19/h6-13,17,22-25,30H,5,14-16H2,1-4H3,(H,31,34)
InChIKeyABRNMLBJHCXMHK-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.41
Rot. Bonds8

About 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide

3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 10435002) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID10435002
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide
SMILESCCC(C(C)C)N1CC2C(C1)C2NCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C29H35N3O3/c1-5-24(17(2)3)32-14-22-23(15-32)25(22)30-16-31-29(34)21-13-9-12-20-26(33)18(4)27(35-28(20)21)19-10-7-6-8-11-19/h6-13,17,22-25,30H,5,14-16H2,1-4H3,(H,31,34)
InChIKeyABRNMLBJHCXMHK-UHFFFAOYSA-N
XLogP4.41
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[[3-[(4-cyanophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 10006321
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 4210141
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166200068
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
3-methyl-8-[3-(methylamino)pyrrolidine-1-carbonyl]-2-phenylchromen-4-one
CID 75469313
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 3070435
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide (CID 10435002) is 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide is CCC(C(C)C)N1CC2C(C1)C2NCNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is ABRNMLBJHCXMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-5-24(17(2)3)32-14-22-23(15-32)25(22)30-16-31-29(34)21-13-9-12-20-26(33)18(4)27(35-28(20)21)19-10-7-6-8-11-19/h6-13,17,22-25,30H,5,14-16H2,1-4H3,(H,31,34).
What are the key properties of 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide?
3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[[3-(2-methylpentan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 10435002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).