N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide

C32H43Cl2N5O3 — CID 42643837

About N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide

N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 42643837) has the molecular formula C32H43Cl2N5O3 and a molecular weight of 616.63 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 42643837
• Molecular Formula: C32H43Cl2N5O3
• Molecular Weight: 616.63 g/mol
• Exact Mass: 615.27
• IUPAC Name: N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
• SMILES: CC[C@H](CN1CCCC1)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2)CC1
• InChI: InChI=1S/C32H43Cl2N5O3/c1-2-26(22-37-14-3-4-15-37)42-29-8-7-13-35-30(29)23-11-18-38(19-12-23)31(40)28(36-32(41)39-16-5-6-17-39)20-24-9-10-25(33)21-27(24)34/h7-10,13,21,23,26,28H,2-6,11-12,14-20,22H2,1H3,(H,36,41)/t26-,28-/m1/s1
• InChIKey: BABHPQOWQOCPPK-IXCJQBJRSA-N
• XLogP: 5.76
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.63
LogP ≤ 5	5.76
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-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide?

The IUPAC name of N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide (CID 42643837) is N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide is CC[C@H](CN1CCCC1)Oc1cccnc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)N2CCCC2)CC1.

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

The InChIKey is BABHPQOWQOCPPK-IXCJQBJRSA-N. The full InChI is InChI=1S/C32H43Cl2N5O3/c1-2-26(22-37-14-3-4-15-37)42-29-8-7-13-35-30(29)23-11-18-38(19-12-23)31(40)28(36-32(41)39-16-5-6-17-39)20-24-9-10-25(33)21-27(24)34/h7-10,13,21,23,26,28H,2-6,11-12,14-20,22H2,1H3,(H,36,41)/t26-,28-/m1/s1.

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

N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 616.63 g/mol, XLogP of 5.76, 10 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-oxo-1-[4-[3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]oxy-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 42643837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).