(6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone

C23H21Cl3N4O2 — CID 143759060

About (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone

(6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 143759060) has the molecular formula C23H21Cl3N4O2 and a molecular weight of 491.81 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone
• PubChem CID: 143759060
• Molecular Formula: C23H21Cl3N4O2
• Molecular Weight: 491.81 g/mol
• Exact Mass: 490.07
• IUPAC Name: (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone
• SMILES: C[C@@H](Oc1ccc(Cl)cn1)C1CN(C(=O)c2ccc(N)nc2)C[C@H]1c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H21Cl3N4O2/c1-13(32-22-7-4-16(24)10-29-22)17-11-30(23(31)15-3-6-21(27)28-9-15)12-18(17)14-2-5-19(25)20(26)8-14/h2-10,13,17-18H,11-12H2,1H3,(H2,27,28)/t13-,17?,18+/m1/s1
• InChIKey: YDPAPBSOIHYISL-ODPJWBIYSA-N
• XLogP: 5.34
• TPSA: 81.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.81
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone?

The IUPAC name of (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone (CID 143759060) is (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone is C[C@@H](Oc1ccc(Cl)cn1)C1CN(C(=O)c2ccc(N)nc2)C[C@H]1c1ccc(Cl)c(Cl)c1.

What is the InChIKey of (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone?

The InChIKey is YDPAPBSOIHYISL-ODPJWBIYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O2/c1-13(32-22-7-4-16(24)10-29-22)17-11-30(23(31)15-3-6-21(27)28-9-15)12-18(17)14-2-5-19(25)20(26)8-14/h2-10,13,17-18H,11-12H2,1H3,(H2,27,28)/t13-,17?,18+/m1/s1.

What are the key properties of (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone?

(6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 491.81 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143759060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).