tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate

C19H29N3O5 — CID 102540666

IUPACtert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(24)21-12-8-10-14(23)13-9-7-11-20-15(13)22-17(25)27-19(4,5)6/h7,9,11H,8,10,12H2,1-6H3,(H,21,24)(H,20,22,25)
InChIKeyISSSKVSWUMBHRZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.92
Rot. Bonds6

About tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate

tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate (PubChem CID 102540666) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
PubChem CID102540666
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nametert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O5/c1-18(2,3)26-16(24)21-12-8-10-14(23)13-9-7-11-20-15(13)22-17(25)27-19(4,5)6/h7,9,11H,8,10,12H2,1-6H3,(H,21,24)(H,20,22,25)
InChIKeyISSSKVSWUMBHRZ-UHFFFAOYSA-N
XLogP3.92
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[2-(diethylamino)-3-pyridinyl]-4-oxobutyl]carbamate
CID 102539931
tert-butyl N-[4-[2-(2,5-dimethylpyrrol-1-yl)-3-pyridinyl]-4-oxobutyl]carbamate
CID 102541910
tert-butyl N-[4-oxo-4-(2-phenoxy-3-pyridinyl)butyl]carbamate
CID 102539566
tert-butyl N-[5-(2-ethoxy-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539404
tert-butyl N-[4-oxo-4-(2-piperidin-1-yl-3-pyridinyl)butyl]carbamate
CID 102541529
tert-butyl N-[5-(2-tert-butylsulfanyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102542254
tert-butyl N-methyl-N-[3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-2-pyridinyl]carbamate
CID 102540759
tert-butyl N-[3-(2-propan-2-yloxyacetyl)-2-pyridinyl]carbamate
CID 165498868
tert-butyl N-[5-[2-(azepan-1-yl)-3-pyridinyl]-5-oxopentyl]carbamate
CID 102541875
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
tert-butyl 4-[3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102541747
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate (CID 102540666) is tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate?
The InChIKey is ISSSKVSWUMBHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-18(2,3)26-16(24)21-12-8-10-14(23)13-9-7-11-20-15(13)22-17(25)27-19(4,5)6/h7,9,11H,8,10,12H2,1-6H3,(H,21,24)(H,20,22,25).
What are the key properties of tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate?
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 102540666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).