N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide

C26H23F2N5O2 — CID 152627995

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide
SMILESCC(=Cc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)CC3C#N)c2c1)c1ccc(C)nc1
InChIInChI=1S/C26H23F2N5O2/c1-16(19-5-3-17(2)31-13-19)9-18-4-6-23-22(10-18)21(7-8-30-23)25(35)32-14-24(34)33-15-26(27,28)11-20(33)12-29/h3-10,13,20H,11,14-15H2,1-2H3,(H,32,35)
InChIKeyZCXMJLHXVTUJPN-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide (PubChem CID 152627995) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide
PubChem CID152627995
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide
SMILESCC(=Cc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)CC3C#N)c2c1)c1ccc(C)nc1
InChIInChI=1S/C26H23F2N5O2/c1-16(19-5-3-17(2)31-13-19)9-18-4-6-23-22(10-18)21(7-8-30-23)25(35)32-14-24(34)33-15-26(27,28)11-20(33)12-29/h3-10,13,20H,11,14-15H2,1-2H3,(H,32,35)
InChIKeyZCXMJLHXVTUJPN-UHFFFAOYSA-N
XLogP3.99
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-(3-methyl-1-benzofuran-6-yl)prop-1-enyl]quinoline-4-carboxamide
CID 154979432
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]quinoline-4-carboxamide
CID 154979509
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]quinoline-4-carboxamide
CID 154979557
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-1-(6-oxo-1H-pyridin-3-yl)prop-1-en-2-yl]quinoline-4-carboxamide
CID 154979554
(E)-3-[4-[[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]prop-2-enoic acid
CID 154961053
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline-4-carboxamide
CID 150109043
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[(E)-2-(4-hydroxycyclohexyl)ethenyl]quinoline-4-carboxamide
CID 154976239
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-(2-pyridin-2-ylethenyl)quinoline-4-carboxamide
CID 151377138
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-[4-(trifluoromethoxy)phenyl]ethenyl]quinoline-4-carboxamide
CID 151272634
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 154966321
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[(E)-2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)ethenyl]quinoline-4-carboxamide
CID 154961107
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3-methyl-1-benzofuran-6-yl)quinoline-4-carboxamide
CID 154966193

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide (CID 152627995) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide is CC(=Cc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)CC3C#N)c2c1)c1ccc(C)nc1.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide?
The InChIKey is ZCXMJLHXVTUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-16(19-5-3-17(2)31-13-19)9-18-4-6-23-22(10-18)21(7-8-30-23)25(35)32-14-24(34)33-15-26(27,28)11-20(33)12-29/h3-10,13,20H,11,14-15H2,1-2H3,(H,32,35).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-[2-(6-methyl-3-pyridinyl)prop-1-enyl]quinoline-4-carboxamide is sourced from PubChem (CID 152627995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).