tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate

C16H25N3O3 — CID 123908026

IUPACtert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
SMILESCCCCCN(C=O)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H25N3O3/c1-5-6-7-10-19(12-20)14-9-8-13(11-17-14)18-15(21)22-16(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyWJPJUJAZHZRUIR-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.58
Rot. Bonds7

About tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate

tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate (PubChem CID 123908026) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
PubChem CID123908026
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
SMILESCCCCCN(C=O)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H25N3O3/c1-5-6-7-10-19(12-20)14-9-8-13(11-17-14)18-15(21)22-16(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyWJPJUJAZHZRUIR-UHFFFAOYSA-N
XLogP3.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
5-butylnonan-5-yl-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]tin
CID 162372932
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-[6-[butyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113044818
diethyl oxalate;ethyl 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-2,4-dioxobutanoate
CID 157051826
diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate (CID 123908026) is tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate is CCCCCN(C=O)c1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate?
The InChIKey is WJPJUJAZHZRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-6-7-10-19(12-20)14-9-8-13(11-17-14)18-15(21)22-16(2,3)4/h8-9,11-12H,5-7,10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate?
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate is sourced from PubChem (CID 123908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).