N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide

C18H18F2N2O3 — CID 94829246

IUPACN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1=O
InChIInChI=1S/C18H18F2N2O3/c1-22-8-7-12(10-16(22)23)17(24)21-15-4-2-3-11-9-13(25-18(19)20)5-6-14(11)15/h5-10,15,18H,2-4H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyMMGMVYJRBJZQKE-HNNXBMFYSA-N
MW348.35 g/mol
LogP2.79
Rot. Bonds4

About N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 94829246) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID94829246
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1=O
InChIInChI=1S/C18H18F2N2O3/c1-22-8-7-12(10-16(22)23)17(24)21-15-4-2-3-11-9-13(25-18(19)20)5-6-14(11)15/h5-10,15,18H,2-4H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeyMMGMVYJRBJZQKE-HNNXBMFYSA-N
XLogP2.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86872906
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 95346205
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 120668049
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 60603306
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
CID 120590890

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 94829246) is N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1=O.
What is the InChIKey of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is MMGMVYJRBJZQKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-22-8-7-12(10-16(22)23)17(24)21-15-4-2-3-11-9-13(25-18(19)20)5-6-14(11)15/h5-10,15,18H,2-4H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 94829246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).