N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H21FN2O3 — CID 86912636

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN2O3/c22-17-7-5-15(6-8-17)16-9-11-24(12-10-16)21(25)23-13-18-14-26-19-3-1-2-4-20(19)27-18/h1-9,18H,10-14H2,(H,23,25)
InChIKeyLSGRUOWJHYCBNT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.46
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 86912636) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID86912636
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN2O3/c22-17-7-5-15(6-8-17)16-9-11-24(12-10-16)21(25)23-13-18-14-26-19-3-1-2-4-20(19)27-18/h1-9,18H,10-14H2,(H,23,25)
InChIKeyLSGRUOWJHYCBNT-UHFFFAOYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 39769201
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N-methylpiperidine-1,4-dicarboxamide
CID 71900515
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 42924620
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724113
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924071
(2S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-fluorophenoxy)propanamide
CID 94010613
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxamide
CID 55457799
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 134042620
N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86900715
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38151808
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 86912636) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCC1COc2ccccc2O1)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LSGRUOWJHYCBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-17-7-5-15(6-8-17)16-9-11-24(12-10-16)21(25)23-13-18-14-26-19-3-1-2-4-20(19)27-18/h1-9,18H,10-14H2,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 86912636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).