2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide

C30H32ClF3N4O4 — CID 70856919

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C30H32ClF3N4O4/c1-37-15-12-22(13-16-37)38(2)29(40)25(19-41-18-20-7-4-3-5-8-20)36-27(39)23-9-6-14-35-28(23)42-26-11-10-21(17-24(26)31)30(32,33)34/h3-11,14,17,22,25H,12-13,15-16,18-19H2,1-2H3,(H,36,39)/t25-/m1/s1
InChIKeyVNDNJERFFSGSSA-RUZDIDTESA-N
MW605.06 g/mol
LogP5.41
Rot. Bonds10

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide

2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 70856919) has the molecular formula C30H32ClF3N4O4 and a molecular weight of 605.06 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
PubChem CID70856919
Molecular FormulaC30H32ClF3N4O4
Molecular Weight605.06 g/mol
Exact Mass604.21
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C30H32ClF3N4O4/c1-37-15-12-22(13-16-37)38(2)29(40)25(19-41-18-20-7-4-3-5-8-20)36-27(39)23-9-6-14-35-28(23)42-26-11-10-21(17-24(26)31)30(32,33)34/h3-11,14,17,22,25H,12-13,15-16,18-19H2,1-2H3,(H,36,39)/t25-/m1/s1
InChIKeyVNDNJERFFSGSSA-RUZDIDTESA-N
XLogP5.41
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.06
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide (CID 70856919) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide is CN1CCC(N(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is VNDNJERFFSGSSA-RUZDIDTESA-N. The full InChI is InChI=1S/C30H32ClF3N4O4/c1-37-15-12-22(13-16-37)38(2)29(40)25(19-41-18-20-7-4-3-5-8-20)36-27(39)23-9-6-14-35-28(23)42-26-11-10-21(17-24(26)31)30(32,33)34/h3-11,14,17,22,25H,12-13,15-16,18-19H2,1-2H3,(H,36,39)/t25-/m1/s1.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide?
2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 605.06 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-N-[(2R)-1-[methyl-(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70856919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).