6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide

C19H26F2N4O3 — CID 71093613

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H26F2N4O3/c1-18(2,17(27)22-3)24-15(26)13-6-7-14(25-9-8-19(20,21)11-25)16(23-13)28-10-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyMTXKGKKQMHNIAJ-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.97
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide (PubChem CID 71093613) has the molecular formula C19H26F2N4O3 and a molecular weight of 396.44 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
PubChem CID71093613
Molecular FormulaC19H26F2N4O3
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)(C)NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H26F2N4O3/c1-18(2,17(27)22-3)24-15(26)13-6-7-14(25-9-8-19(20,21)11-25)16(23-13)28-10-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyMTXKGKKQMHNIAJ-UHFFFAOYSA-N
XLogP1.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridin-2-yl]-(2,2-dimethyl-pyrrolidin-1-yl)-methanone
CID 76283339
(1,1,2,2,3,3-hexadeuterio-3-(18F)fluoropropyl) 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 156273653
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71113198
6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
CID 118418663
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418664
6-(cyclopropylmethoxy)-N-[3-(3-fluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418666
Ethyl 2-(6-(Cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)picolinamido)-2-ethylbutanoate
CID 118418701
6-(cyclopropylmethoxy)-N-[3-(3-fluoropropylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418707
6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418720
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105611
N-[1-(2-Amino-2-oxoethyl)cyclobutyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 76287670
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid tert-butyl-ethyl-amide
CID 90203769

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide (CID 71093613) is 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide is CNC(=O)C(C)(C)NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
The InChIKey is MTXKGKKQMHNIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O3/c1-18(2,17(27)22-3)24-15(26)13-6-7-14(25-9-8-19(20,21)11-25)16(23-13)28-10-12-4-5-12/h6-7,12H,4-5,8-11H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).