6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C19H20F2N4O2 — CID 71105626

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H20F2N4O2/c20-19(21)11-25(12-19)16-7-6-15(24-18(16)27-10-13-4-5-13)17(26)23-9-14-3-1-2-8-22-14/h1-3,6-8,13H,4-5,9-12H2,(H,23,26)
InChIKeyYJQRIXQJAGCBRV-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.65
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 71105626) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID71105626
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H20F2N4O2/c20-19(21)11-25(12-19)16-7-6-15(24-18(16)27-10-13-4-5-13)17(26)23-9-14-3-1-2-8-22-14/h1-3,6-8,13H,4-5,9-12H2,(H,23,26)
InChIKeyYJQRIXQJAGCBRV-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
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
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118451444
N-[3-amino-1-(oxan-4-yl)-3-oxopropyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 151060495
methyl 5-(3,3-difluoroazetidin-1-yl)-6-(2-methoxyethoxy)pyridine-2-carboxylate
CID 71087451
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine
CID 158306261
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
6-(cyclopropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 84570874
3-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-(cyclopropylmethoxy)pyridine
CID 151630741
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 71105626) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccn1)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YJQRIXQJAGCBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-19(21)11-25(12-19)16-7-6-15(24-18(16)27-10-13-4-5-13)17(26)23-9-14-3-1-2-8-22-14/h1-3,6-8,13H,4-5,9-12H2,(H,23,26).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).