2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C21H23F2N3O2 — CID 67287810

IUPAC2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C21H23F2N3O2/c1-13-10-18(26-6-8-28-9-7-26)25-20(15-3-4-15)19(13)21(27)24-12-14-2-5-16(22)17(23)11-14/h2,5,10-11,15H,3-4,6-9,12H2,1H3,(H,24,27)
InChIKeyCASVXKAIMIIKOF-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.31
Rot. Bonds5

About 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 67287810) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID67287810
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C21H23F2N3O2/c1-13-10-18(26-6-8-28-9-7-26)25-20(15-3-4-15)19(13)21(27)24-12-14-2-5-16(22)17(23)11-14/h2,5,10-11,15H,3-4,6-9,12H2,1H3,(H,24,27)
InChIKeyCASVXKAIMIIKOF-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
2,4,6-trifluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
CID 146420029
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
4-cyclopropyl-N-(oxan-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11327582
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16223606
6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-fluorobenzo[c][1,6]naphthyridin-1(2H)-one
CID 25097027
2-(3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123380
2-(2,6-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123382
2-(2,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
CID 25123708
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25123711
2-(4-acetamido-3-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25124040

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 67287810) is 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CASVXKAIMIIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-13-10-18(26-6-8-28-9-7-26)25-20(15-3-4-15)19(13)21(27)24-12-14-2-5-16(22)17(23)11-14/h2,5,10-11,15H,3-4,6-9,12H2,1H3,(H,24,27).
What are the key properties of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 67287810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).