N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C18H23FN2O2 — CID 86900715

IUPACN-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCCOCC1CC1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O2/c19-17-5-3-15(4-6-17)16-7-10-21(11-8-16)18(22)20-9-12-23-13-14-1-2-14/h3-7,14H,1-2,8-13H2,(H,20,22)
InChIKeyGJCCZIKCQATLNB-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 86900715) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID86900715
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCCOCC1CC1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O2/c19-17-5-3-15(4-6-17)16-7-10-21(11-8-16)18(22)20-9-12-23-13-14-1-2-14/h3-7,14H,1-2,8-13H2,(H,20,22)
InChIKeyGJCCZIKCQATLNB-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 86900715) is N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCCOCC1CC1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is GJCCZIKCQATLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-17-5-3-15(4-6-17)16-7-10-21(11-8-16)18(22)20-9-12-23-13-14-1-2-14/h3-7,14H,1-2,8-13H2,(H,20,22).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 86900715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).