N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide

C19H21BrN2O3 — CID 24764922

IUPACN-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1ccc2c(c1)OCCC2(C)O)c1ccc(Br)cn1
InChIInChI=1S/C19H21BrN2O3/c1-12(16-6-4-14(20)11-21-16)22-18(23)10-13-3-5-15-17(9-13)25-8-7-19(15,2)24/h3-6,9,11-12,24H,7-8,10H2,1-2H3,(H,22,23)/t12-,19?/m1/s1
InChIKeyKZNRXUBQVNJQQW-ISGGMURCSA-N
MW405.29 g/mol
LogP3.25
Rot. Bonds4

About N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide

N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide (PubChem CID 24764922) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide
PubChem CID24764922
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1ccc2c(c1)OCCC2(C)O)c1ccc(Br)cn1
InChIInChI=1S/C19H21BrN2O3/c1-12(16-6-4-14(20)11-21-16)22-18(23)10-13-3-5-15-17(9-13)25-8-7-19(15,2)24/h3-6,9,11-12,24H,7-8,10H2,1-2H3,(H,22,23)/t12-,19?/m1/s1
InChIKeyKZNRXUBQVNJQQW-ISGGMURCSA-N
XLogP3.25
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide 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-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]acetamide
CID 24765670
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
CID 100631185
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 125139850
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28560327
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 76655372
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 100691289
N-[1-(4-acetylphenyl)ethyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 123563613

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide?
The IUPAC name of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide (CID 24764922) is N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide is C[C@@H](NC(=O)Cc1ccc2c(c1)OCCC2(C)O)c1ccc(Br)cn1.
What is the InChIKey of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide?
The InChIKey is KZNRXUBQVNJQQW-ISGGMURCSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12(16-6-4-14(20)11-21-16)22-18(23)10-13-3-5-15-17(9-13)25-8-7-19(15,2)24/h3-6,9,11-12,24H,7-8,10H2,1-2H3,(H,22,23)/t12-,19?/m1/s1.
What are the key properties of N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide?
N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide has a molecular weight of 405.29 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-2-(4-hydroxy-4-methyl-2,3-dihydrochromen-7-yl)acetamide is sourced from PubChem (CID 24764922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).