N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide

C18H20N2O2 — CID 90649003

IUPACN-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCc2ccccc2O1
InChIInChI=1S/C18H20N2O2/c21-18(20-13-5-8-15-7-3-4-12-19-15)17-11-10-14-6-1-2-9-16(14)22-17/h1-4,6-7,9,12,17H,5,8,10-11,13H2,(H,20,21)
InChIKeySWXUPUOTMVKUDI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.52
Rot. Bonds5

About N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide

N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 90649003) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID90649003
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCc2ccccc2O1
InChIInChI=1S/C18H20N2O2/c21-18(20-13-5-8-15-7-3-4-12-19-15)17-11-10-14-6-1-2-9-16(14)22-17/h1-4,6-7,9,12,17H,5,8,10-11,13H2,(H,20,21)
InChIKeySWXUPUOTMVKUDI-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136567978
(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 99960771
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392634
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 90649003) is N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NCCCc1ccccn1)C1CCc2ccccc2O1.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is SWXUPUOTMVKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(20-13-5-8-15-7-3-4-12-19-15)17-11-10-14-6-1-2-9-16(14)22-17/h1-4,6-7,9,12,17H,5,8,10-11,13H2,(H,20,21).
What are the key properties of N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 90649003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).