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

C18H21N3O2 — CID 125180470

IUPACN-[2-[[(4R)-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-/m1/s1
InChIKeyRAKCGOJNNSLQMI-QGZVFWFLSA-N
MW311.39 g/mol
LogP2.30
Rot. Bonds5

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

N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide (PubChem CID 125180470) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
PubChem CID125180470
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-[[(4R)-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-/m1/s1
InChIKeyRAKCGOJNNSLQMI-QGZVFWFLSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide (CID 125180470) is N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(4R)-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-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
The InChIKey is RAKCGOJNNSLQMI-QGZVFWFLSA-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-/m1/s1.
What are the key properties of N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide?
N-[2-[[(4R)-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-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 125180470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).