N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide

C18H18F2N4O4S — CID 166130713

IUPACN-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H18F2N4O4S/c1-2-13(25)11-9-22-15(24-17(26)10-5-6-10)8-12(11)23-16-14(4-3-7-21-16)29(27,28)18(19)20/h3-4,7-10,18H,2,5-6H2,1H3,(H2,21,22,23,24,26)
InChIKeyMGEACOPXZCVDLX-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.16
Rot. Bonds8

About N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 166130713) has the molecular formula C18H18F2N4O4S and a molecular weight of 424.43 g/mol. Its IUPAC name is N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
PubChem CID166130713
Molecular FormulaC18H18F2N4O4S
Molecular Weight424.43 g/mol
Exact Mass424.10
IUPAC NameN-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H18F2N4O4S/c1-2-13(25)11-9-22-15(24-17(26)10-5-6-10)8-12(11)23-16-14(4-3-7-21-16)29(27,28)18(19)20/h3-4,7-10,18H,2,5-6H2,1H3,(H2,21,22,23,24,26)
InChIKeyMGEACOPXZCVDLX-UHFFFAOYSA-N
XLogP3.16
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170347942
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
N-[4-[[(4S)-2,4-dimethyl-5-(trideuteriomethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 171663354
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044553
N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600201
3,3,3-trideuterio-1-[6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 164832218
6-[(3,3-difluorocyclobutanecarbonyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 158488350
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
N-[4-[3-(3-dimethylphosphoryl-1,2,4-thiadiazol-5-yl)-2-methoxyanilino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 166171143
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 1452755

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide (CID 166130713) is N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide is CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is MGEACOPXZCVDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4S/c1-2-13(25)11-9-22-15(24-17(26)10-5-6-10)8-12(11)23-16-14(4-3-7-21-16)29(27,28)18(19)20/h3-4,7-10,18H,2,5-6H2,1H3,(H2,21,22,23,24,26).
What are the key properties of N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 424.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 166130713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).