N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide

C29H39Cl2N5O3 — CID 42643586

About N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide

N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 42643586) has the molecular formula C29H39Cl2N5O3 and a molecular weight of 576.57 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 42643586
• Molecular Formula: C29H39Cl2N5O3
• Molecular Weight: 576.57 g/mol
• Exact Mass: 575.24
• IUPAC Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide
• SMILES: C[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2)CC1
• InChI: InChI=1S/C29H39Cl2N5O3/c1-20(19-34(2)3)39-26-7-6-12-32-27(26)21-10-15-35(16-11-21)28(37)25(33-29(38)36-13-4-5-14-36)17-22-8-9-23(30)18-24(22)31/h6-9,12,18,20-21,25H,4-5,10-11,13-17,19H2,1-3H3,(H,33,38)/t20-,25+/m0/s1
• InChIKey: QCZDGCIQEAFJJP-NBGIEHNGSA-N
• XLogP: 4.84
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.57
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?

The IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide (CID 42643586) is N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?

The canonical SMILES for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide is C[C@@H](CN(C)C)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2)CC1.

What is the InChIKey of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?

The InChIKey is QCZDGCIQEAFJJP-NBGIEHNGSA-N. The full InChI is InChI=1S/C29H39Cl2N5O3/c1-20(19-34(2)3)39-26-7-6-12-32-27(26)21-10-15-35(16-11-21)28(37)25(33-29(38)36-13-4-5-14-36)17-22-8-9-23(30)18-24(22)31/h6-9,12,18,20-21,25H,4-5,10-11,13-17,19H2,1-3H3,(H,33,38)/t20-,25+/m0/s1.

What are the key properties of N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide?

N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 576.57 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(2S)-1-(dimethylamino)propan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 42643586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).