tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid

C15H22N4O2 — CID 175931430

IUPACtert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid
SMILESCCN(CCN(C(=O)O)C(C)(C)C)c1ccc(C#N)cn1
InChIInChI=1S/C15H22N4O2/c1-5-18(13-7-6-12(10-16)11-17-13)8-9-19(14(20)21)15(2,3)4/h6-7,11H,5,8-9H2,1-4H3,(H,20,21)
InChIKeyFJQMEFQZGGYEEG-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.56
Rot. Bonds5

About tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid

tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid (PubChem CID 175931430) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid
PubChem CID175931430
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid
SMILESCCN(CCN(C(=O)O)C(C)(C)C)c1ccc(C#N)cn1
InChIInChI=1S/C15H22N4O2/c1-5-18(13-7-6-12(10-16)11-17-13)8-9-19(14(20)21)15(2,3)4/h6-7,11H,5,8-9H2,1-4H3,(H,20,21)
InChIKeyFJQMEFQZGGYEEG-UHFFFAOYSA-N
XLogP2.56
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[(5-cyanopyrimidin-2-yl)methyl]carbamic acid
CID 68681996
6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
N-(5-cyano-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268043
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
tert-butyl-[2-(4-chlorophenyl)-2-[(5-cyanopyrimidin-2-yl)amino]ethyl]carbamic acid
CID 146591490
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid (CID 175931430) is tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid is CCN(CCN(C(=O)O)C(C)(C)C)c1ccc(C#N)cn1.
What is the InChIKey of tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid?
The InChIKey is FJQMEFQZGGYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-18(13-7-6-12(10-16)11-17-13)8-9-19(14(20)21)15(2,3)4/h6-7,11H,5,8-9H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid?
tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid has a molecular weight of 290.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid is sourced from PubChem (CID 175931430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).