6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide

C30H39F2N5O5 — CID 166820287

IUPAC6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)CCN(C)C)n1
InChIInChI=1S/C30H39F2N5O5/c1-19(38)37-17-22(21-10-11-26(42-30(31)32)27(15-21)41-18-20-8-9-20)14-25(37)28(39)33-16-23-6-5-7-24(34-23)29(40)36(4)13-12-35(2)3/h5-7,10-11,15,20,22,25,30H,8-9,12-14,16-18H2,1-4H3,(H,33,39)/t22?,25-/m1/s1
InChIKeyZTAQBLIIQXJYAG-NRWPOFLRSA-N
MW587.67 g/mol
LogP3.13
Rot. Bonds13

About 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide

6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 166820287) has the molecular formula C30H39F2N5O5 and a molecular weight of 587.67 g/mol. Its IUPAC name is 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID166820287
Molecular FormulaC30H39F2N5O5
Molecular Weight587.67 g/mol
Exact Mass587.29
IUPAC Name6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
SMILESCC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)CCN(C)C)n1
InChIInChI=1S/C30H39F2N5O5/c1-19(38)37-17-22(21-10-11-26(42-30(31)32)27(15-21)41-18-20-8-9-20)14-25(37)28(39)33-16-23-6-5-7-24(34-23)29(40)36(4)13-12-35(2)3/h5-7,10-11,15,20,22,25,30H,8-9,12-14,16-18H2,1-4H3,(H,33,39)/t22?,25-/m1/s1
InChIKeyZTAQBLIIQXJYAG-NRWPOFLRSA-N
XLogP3.13
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.67
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-propylpyridine-2-carboxamide
CID 166820533
6-[[[(2R)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1-(2-fluoroacetyl)pyrrolidine-2-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide
CID 166820265
[6-(dimethylcarbamoyl)-2-pyridinyl]methyl (2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carboxylate
CID 166820217
[6-[methyl-(4-methylphenyl)carbamoyl]-2-pyridinyl]methyl (2S)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carboxylate
CID 157023240
1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 166820529
1-[(2R)-2-(aminomethyl)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-1-yl]ethanone
CID 157023347
6-[[[(2R)-1-acetyl-4-[5-[cyclopropylmethyl(hydroxy)amino]-4-(difluoromethoxy)-2-methylsulfonylphenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 175608400
2-[(2S)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-yl]acetamide
CID 175178681
(2R)-1-acetyl-4-[3-[cyclopropyl(dideuterio)methoxy]-4-(difluoromethoxy)phenyl]pyrrolidine-2-carboxylic acid
CID 172720882
[(2R,4S)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-yl]methyl 5-[ethyl(methyl)carbamoyl]pyridine-2-carboxylate
CID 157023317
6-[[[(2R)-1-acetyl-4-[5-[cyclopropylmethyl(hydroxy)amino]-4-(difluoromethoxy)-2-methylsulfonylphenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-(4,4-difluorocyclohexyl)-N-methylpyridine-2-carboxamide
CID 166820218
N-[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidin-2-yl]methyl]-2-ethoxy-3-fluorobenzamide
CID 162355322

Frequently Asked Questions

What is the IUPAC name of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide (CID 166820287) is 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide is CC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)CCN(C)C)n1.
What is the InChIKey of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZTAQBLIIQXJYAG-NRWPOFLRSA-N. The full InChI is InChI=1S/C30H39F2N5O5/c1-19(38)37-17-22(21-10-11-26(42-30(31)32)27(15-21)41-18-20-8-9-20)14-25(37)28(39)33-16-23-6-5-7-24(34-23)29(40)36(4)13-12-35(2)3/h5-7,10-11,15,20,22,25,30H,8-9,12-14,16-18H2,1-4H3,(H,33,39)/t22?,25-/m1/s1.
What are the key properties of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 587.67 g/mol, XLogP of 3.13, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166820287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).