benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate

C23H23N3O2 — CID 102540544

IUPACbenzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1c1cccnc1Nc1ccccc1
InChIInChI=1S/C23H23N3O2/c27-23(28-17-18-9-3-1-4-10-18)26-16-8-14-21(26)20-13-7-15-24-22(20)25-19-11-5-2-6-12-19/h1-7,9-13,15,21H,8,14,16-17H2,(H,24,25)
InChIKeyPCKWIYMFCFLGHB-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.30
Rot. Bonds5

About benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate

benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate (PubChem CID 102540544) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
PubChem CID102540544
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Namebenzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC1c1cccnc1Nc1ccccc1
InChIInChI=1S/C23H23N3O2/c27-23(28-17-18-9-3-1-4-10-18)26-16-8-14-21(26)20-13-7-15-24-22(20)25-19-11-5-2-6-12-19/h1-7,9-13,15,21H,8,14,16-17H2,(H,24,25)
InChIKeyPCKWIYMFCFLGHB-UHFFFAOYSA-N
XLogP5.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
benzyl 2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 175376417
benzyl 2-(2-cyclohexylsulfanyl-3-pyridinyl)piperidine-1-carboxylate
CID 102542185
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541678
benzyl 2-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102541216
benzyl 2-[3-(2-hydroxy-3-methoxycarbonylanilino)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 151613547
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539508
benzyl 2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylate
CID 175062089
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate (CID 102540544) is benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC1c1cccnc1Nc1ccccc1.
What is the InChIKey of benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate?
The InChIKey is PCKWIYMFCFLGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(28-17-18-9-3-1-4-10-18)26-16-8-14-21(26)20-13-7-15-24-22(20)25-19-11-5-2-6-12-19/h1-7,9-13,15,21H,8,14,16-17H2,(H,24,25).
What are the key properties of benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate?
benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 102540544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).