tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate

C18H31N3O2 — CID 107243064

IUPACtert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
SMILESCCC(C)CC(CC)Nc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C18H31N3O2/c1-7-13(3)11-14(8-2)20-15-9-10-16(19-12-15)21-17(22)23-18(4,5)6/h9-10,12-14,20H,7-8,11H2,1-6H3,(H,19,21,22)
InChIKeyBMABSILIKSADOD-UHFFFAOYSA-N
MW321.47 g/mol
LogP5.06
Rot. Bonds7

About tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate

tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate (PubChem CID 107243064) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
PubChem CID107243064
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Nametert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
SMILESCCC(C)CC(CC)Nc1ccc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C18H31N3O2/c1-7-13(3)11-14(8-2)20-15-9-10-16(19-12-15)21-17(22)23-18(4,5)6/h9-10,12-14,20H,7-8,11H2,1-6H3,(H,19,21,22)
InChIKeyBMABSILIKSADOD-UHFFFAOYSA-N
XLogP5.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.47
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[5-[(1-methoxy-3-methylbutan-2-yl)amino]-2-pyridinyl]carbamate
CID 103936619
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
tert-butyl N-[5-[(1-methylpiperidin-4-yl)methylamino]-2-pyridinyl]carbamate
CID 107243097
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate (CID 107243064) is tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate is CCC(C)CC(CC)Nc1ccc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate?
The InChIKey is BMABSILIKSADOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-7-13(3)11-14(8-2)20-15-9-10-16(19-12-15)21-17(22)23-18(4,5)6/h9-10,12-14,20H,7-8,11H2,1-6H3,(H,19,21,22).
What are the key properties of tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate?
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate has a molecular weight of 321.47 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 107243064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).