tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate

C17H27N3O2 — CID 102540097

IUPACtert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
SMILESCCCNc1ccc(C2CCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H27N3O2/c1-5-10-18-15-9-8-13(12-19-15)14-7-6-11-20(14)16(21)22-17(2,3)4/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,18,19)
InChIKeyPQJHBAMRBNIOEK-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate

tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate (PubChem CID 102540097) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
PubChem CID102540097
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
SMILESCCCNc1ccc(C2CCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H27N3O2/c1-5-10-18-15-9-8-13(12-19-15)14-7-6-11-20(14)16(21)22-17(2,3)4/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,18,19)
InChIKeyPQJHBAMRBNIOEK-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[6-(ethylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 102540049
tert-butyl 2-[6-(2-methylpropylamino)-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540161
1-[2-[6-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540287
tert-butyl 2-(6-piperidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541520
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl (2S)-2-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176737
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
tert-butyl 2-[6-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 102540929
tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl (2R)-2-(4-methoxycarbonylphenyl)pyrrolidine-1-carboxylate
CID 11536817

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate (CID 102540097) is tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate is CCCNc1ccc(C2CCCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
The InChIKey is PQJHBAMRBNIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-10-18-15-9-8-13(12-19-15)14-7-6-11-20(14)16(21)22-17(2,3)4/h8-9,12,14H,5-7,10-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-(propylamino)-3-pyridinyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 102540097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).