6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C32H35F2N5O5 — CID 166820300

IUPAC6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)Cc2ccccn2)n1
InChIInChI=1S/C32H35F2N5O5/c1-20(40)39-17-23(22-11-12-28(44-32(33)34)29(15-22)43-19-21-9-10-21)14-27(39)30(41)36-16-24-7-5-8-26(37-24)31(42)38(2)18-25-6-3-4-13-35-25/h3-8,11-13,15,21,23,27,32H,9-10,14,16-19H2,1-2H3,(H,36,41)/t23?,27-/m1/s1
InChIKeyVZSMPPUQRFDKJA-IQHZPMLTSA-N
MW607.66 g/mol
LogP4.16
Rot. Bonds12

About 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 166820300) has the molecular formula C32H35F2N5O5 and a molecular weight of 607.66 g/mol. Its IUPAC name is 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID166820300
Molecular FormulaC32H35F2N5O5
Molecular Weight607.66 g/mol
Exact Mass607.26
IUPAC Name6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)Cc2ccccn2)n1
InChIInChI=1S/C32H35F2N5O5/c1-20(40)39-17-23(22-11-12-28(44-32(33)34)29(15-22)43-19-21-9-10-21)14-27(39)30(41)36-16-24-7-5-8-26(37-24)31(42)38(2)18-25-6-3-4-13-35-25/h3-8,11-13,15,21,23,27,32H,9-10,14,16-19H2,1-2H3,(H,36,41)/t23?,27-/m1/s1
InChIKeyVZSMPPUQRFDKJA-IQHZPMLTSA-N
XLogP4.16
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.66
LogP ≤ 54.16
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-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 166820300) is 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CC(=O)N1CC(c2ccc(OC(F)F)c(OCC3CC3)c2)C[C@@H]1C(=O)NCc1cccc(C(=O)N(C)Cc2ccccn2)n1.
What is the InChIKey of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VZSMPPUQRFDKJA-IQHZPMLTSA-N. The full InChI is InChI=1S/C32H35F2N5O5/c1-20(40)39-17-23(22-11-12-28(44-32(33)34)29(15-22)43-19-21-9-10-21)14-27(39)30(41)36-16-24-7-5-8-26(37-24)31(42)38(2)18-25-6-3-4-13-35-25/h3-8,11-13,15,21,23,27,32H,9-10,14,16-19H2,1-2H3,(H,36,41)/t23?,27-/m1/s1.
What are the key properties of 6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
6-[[[(2R)-1-acetyl-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pyrrolidine-2-carbonyl]amino]methyl]-N-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 607.66 g/mol, XLogP of 4.16, 12 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-methyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166820300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).