tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate

C18H29N3O2 — CID 103723704

IUPACtert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate
SMILESCc1ccncc1NC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-13-8-9-19-12-16(13)20-14(2)11-15-7-6-10-21(15)17(22)23-18(3,4)5/h8-9,12,14-15,20H,6-7,10-11H2,1-5H3
InChIKeyOKQPRZMONKVTTD-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate (PubChem CID 103723704) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate
PubChem CID103723704
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate
SMILESCc1ccncc1NC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-13-8-9-19-12-16(13)20-14(2)11-15-7-6-10-21(15)17(22)23-18(3,4)5/h8-9,12,14-15,20H,6-7,10-11H2,1-5H3
InChIKeyOKQPRZMONKVTTD-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate
CID 103723577
tert-butyl 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634517
tert-butyl 2-[2-(3-methylanilino)propyl]piperidine-1-carboxylate
CID 113248664
tert-butyl 2-[2-[(5-bromo-3-pyridinyl)amino]propyl]azepane-1-carboxylate
CID 114222267
tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
CID 113248586
tert-butyl 2-[2-(pyridazin-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
CID 106895074
tert-butyl (2S)-2-[(pyridin-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 10564494
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634508
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate (CID 103723704) is tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate is Cc1ccncc1NC(C)CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is OKQPRZMONKVTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-8-9-19-12-16(13)20-14(2)11-15-7-6-10-21(15)17(22)23-18(3,4)5/h8-9,12,14-15,20H,6-7,10-11H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 319.45 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-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).