6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide

C22H31F2N3O4 — CID 78010132

IUPAC6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCOCCOCC(CC1CC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C22H31F2N3O4/c1-29-8-9-30-12-17(10-15-2-3-15)25-20(28)18-6-7-19(27-13-22(23,24)14-27)21(26-18)31-11-16-4-5-16/h6-7,15-17H,2-5,8-14H2,1H3,(H,25,28)
InChIKeyMSUMVCBOHYAJPM-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.89
Rot. Bonds13

About 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (PubChem CID 78010132) has the molecular formula C22H31F2N3O4 and a molecular weight of 439.50 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
PubChem CID78010132
Molecular FormulaC22H31F2N3O4
Molecular Weight439.50 g/mol
Exact Mass439.23
IUPAC Name6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
SMILESCOCCOCC(CC1CC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C22H31F2N3O4/c1-29-8-9-30-12-17(10-15-2-3-15)25-20(28)18-6-7-19(27-13-22(23,24)14-27)21(26-18)31-11-16-4-5-16/h6-7,15-17H,2-5,8-14H2,1H3,(H,25,28)
InChIKeyMSUMVCBOHYAJPM-UHFFFAOYSA-N
XLogP2.89
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 71087872
methyl 2-[[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]methyl]-4-methylpentanoate
CID 90202626
methyl 5-(3,3-difluoroazetidin-1-yl)-6-(2-methoxyethoxy)pyridine-2-carboxylate
CID 71087451
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 71105626
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 90204589
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 90204281
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2-carboxamide
CID 161367264
3-fluoropropyl 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 150028494
N-[(2S)-1-(3-fluoropropoxy)-4-methylpentan-2-yl]-5-(3-methoxyazetidin-1-yl)-6-(oxetan-3-ylmethoxy)pyridine-2-carboxamide
CID 150716959

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide (CID 78010132) is 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is COCCOCC(CC1CC1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
The InChIKey is MSUMVCBOHYAJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O4/c1-29-8-9-30-12-17(10-15-2-3-15)25-20(28)18-6-7-19(27-13-22(23,24)14-27)21(26-18)31-11-16-4-5-16/h6-7,15-17H,2-5,8-14H2,1H3,(H,25,28).
What are the key properties of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 2.89, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-3-(2-methoxyethoxy)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 78010132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).