tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate

C15H24N4O2 — CID 56837264

IUPACtert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate
SMILESCCC/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C)cn1
InChIInChI=1S/C15H24N4O2/c1-6-9-16-13(19-14(20)21-15(3,4)5)18-12-8-7-11(2)10-17-12/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyBAWVLYULWIUOEG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.09
Rot. Bonds3

About tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate

tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate (PubChem CID 56837264) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate
PubChem CID56837264
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate
SMILESCCC/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C)cn1
InChIInChI=1S/C15H24N4O2/c1-6-9-16-13(19-14(20)21-15(3,4)5)18-12-8-7-11(2)10-17-12/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyBAWVLYULWIUOEG-UHFFFAOYSA-N
XLogP3.09
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[N-(4-methylphenyl)sulfonyl-N'-propylcarbamimidoyl]carbamate
CID 101154955
tert-butyl N-[3-[[N'-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887316
3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110927806
tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 17476260
tert-butyl 4-[N'-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]piperazine-1-carboxylate
CID 111093098
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 166179112
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl 3-[[N'-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466320

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate?
The IUPAC name of tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate (CID 56837264) is tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate is CCC/N=C(\NC(=O)OC(C)(C)C)Nc1ccc(C)cn1.
What is the InChIKey of tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate?
The InChIKey is BAWVLYULWIUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-6-9-16-13(19-14(20)21-15(3,4)5)18-12-8-7-11(2)10-17-12/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate?
tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N-(5-methyl-2-pyridinyl)-N'-propylcarbamimidoyl]carbamate is sourced from PubChem (CID 56837264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).