N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide

C18H21N3O2 — CID 125180469

IUPACN-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@H]1CCOc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C18H21N3O2/c1-13(22)20-8-9-21-17-6-10-23-18-5-4-14(11-16(17)18)15-3-2-7-19-12-15/h2-5,7,11-12,17,21H,6,8-10H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyRAKCGOJNNSLQMI-KRWDZBQOSA-N
MW311.39 g/mol
LogP2.30
Rot. Bonds5

About N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide

N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide (PubChem CID 125180469) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
PubChem CID125180469
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@H]1CCOc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C18H21N3O2/c1-13(22)20-8-9-21-17-6-10-23-18-5-4-14(11-16(17)18)15-3-2-7-19-12-15/h2-5,7,11-12,17,21H,6,8-10H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyRAKCGOJNNSLQMI-KRWDZBQOSA-N
XLogP2.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]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-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
CID 125180470
6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60914256
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
4-(ethylamino)-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 105477435
N-[2-(7-pyridin-3-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
CID 53238185
1,3-difluoro-5-methylbenzene;ethane;N-[3-[(6-propan-2-yloxy-3,4-dihydro-2H-chromen-4-yl)amino]propyl]acetamide
CID 142873950
6-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 125180520
N-[2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]ethyl]acetamide
CID 43770391
N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
CID 129186352
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133295763
N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide (CID 125180469) is N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide is CC(=O)NCCN[C@H]1CCOc2ccc(-c3cccnc3)cc21.
What is the InChIKey of N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
The InChIKey is RAKCGOJNNSLQMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(22)20-8-9-21-17-6-10-23-18-5-4-14(11-16(17)18)15-3-2-7-19-12-15/h2-5,7,11-12,17,21H,6,8-10H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 125180469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).