N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide

C26H32F2N4O2 — CID 162593998

IUPACN-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCCC1(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CN(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C26H32F2N4O2/c1-3-25(15-31(18(25)2)13-19-7-5-4-6-8-19)30-23(33)21-11-12-22(32-16-26(27,28)17-32)24(29-21)34-14-20-9-10-20/h4-8,11-12,18,20H,3,9-10,13-17H2,1-2H3,(H,30,33)/t18-,25?/m1/s1
InChIKeyZWIVBDLLAFIVPC-YDONVPIESA-N
MW470.56 g/mol
LogP4.11
Rot. Bonds9

About N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide

N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 162593998) has the molecular formula C26H32F2N4O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
PubChem CID162593998
Molecular FormulaC26H32F2N4O2
Molecular Weight470.56 g/mol
Exact Mass470.25
IUPAC NameN-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCCC1(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CN(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C26H32F2N4O2/c1-3-25(15-31(18(25)2)13-19-7-5-4-6-8-19)30-23(33)21-11-12-22(32-16-26(27,28)17-32)24(29-21)34-14-20-9-10-20/h4-8,11-12,18,20H,3,9-10,13-17H2,1-2H3,(H,30,33)/t18-,25?/m1/s1
InChIKeyZWIVBDLLAFIVPC-YDONVPIESA-N
XLogP4.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 71087806
2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-4,4-dideuterio-2-ethyl-3-fluoro-3-methylbutanoic acid
CID 174202722
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 130312677
3-fluoropropyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 150028494
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
methyl 2-[[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]methyl]-4-methylpentanoate
CID 90202626
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2-carboxamide
CID 161367264
6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 78010132
6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 147471464
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 71087872
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (CID 162593998) is N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is CCC1(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CN(Cc2ccccc2)[C@@H]1C.
What is the InChIKey of N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is ZWIVBDLLAFIVPC-YDONVPIESA-N. The full InChI is InChI=1S/C26H32F2N4O2/c1-3-25(15-31(18(25)2)13-19-7-5-4-6-8-19)30-23(33)21-11-12-22(32-16-26(27,28)17-32)24(29-21)34-14-20-9-10-20/h4-8,11-12,18,20H,3,9-10,13-17H2,1-2H3,(H,30,33)/t18-,25?/m1/s1.
What are the key properties of N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162593998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).