tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate

C17H28N4O2 — CID 150097350

IUPACtert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCCN2CCCC2)cn1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-15-7-6-14(13-19-15)12-18-8-11-21-9-4-5-10-21/h6-7,13,18H,4-5,8-12H2,1-3H3,(H,19,20,22)
InChIKeyDUNBCOSCTHGGDU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.61
Rot. Bonds6

About tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate

tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate (PubChem CID 150097350) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
PubChem CID150097350
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCCN2CCCC2)cn1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-15-7-6-14(13-19-15)12-18-8-11-21-9-4-5-10-21/h6-7,13,18H,4-5,8-12H2,1-3H3,(H,19,20,22)
InChIKeyDUNBCOSCTHGGDU-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
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tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
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tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
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1-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]-2-oxocyclopentane-1-carboxylic acid
CID 66886712
tert-butyl N-[5-[[4-[5-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylcarbamoyl]-6-methyl-2-pyridinyl]butylcarbamoylamino]methyl]-2-pyridinyl]carbamate
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tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[4-[2-[5-[(4-morpholin-4-ylbutylamino)methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208295
tert-butyl N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]carbamate
CID 113030719
tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate (CID 150097350) is tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNCCN2CCCC2)cn1.
What is the InChIKey of tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate?
The InChIKey is DUNBCOSCTHGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-15-7-6-14(13-19-15)12-18-8-11-21-9-4-5-10-21/h6-7,13,18H,4-5,8-12H2,1-3H3,(H,19,20,22).
What are the key properties of tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 150097350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).