tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate

C18H31N5O2 — CID 70975709

IUPACtert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
SMILESCCNc1nc(C)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N
InChIInChI=1S/C18H31N5O2/c1-6-20-16-15(19)14(10-12(2)21-16)23-9-7-8-13(11-23)22-17(24)25-18(3,4)5/h10,13H,6-9,11,19H2,1-5H3,(H,20,21)(H,22,24)/t13-/m1/s1
InChIKeyRDORGWSFSFSBLL-CYBMUJFWSA-N
MW349.48 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate (PubChem CID 70975709) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
PubChem CID70975709
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Nametert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
SMILESCCNc1nc(C)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N
InChIInChI=1S/C18H31N5O2/c1-6-20-16-15(19)14(10-12(2)21-16)23-9-7-8-13(11-23)22-17(24)25-18(3,4)5/h10,13H,6-9,11,19H2,1-5H3,(H,20,21)(H,22,24)/t13-/m1/s1
InChIKeyRDORGWSFSFSBLL-CYBMUJFWSA-N
XLogP2.90
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3R)-1-(2-chloro-6-methyl-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate
CID 86673552
tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
CID 77473382
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl N-[(3R)-1-(2-chloro-5-iodo-4-pyridinyl)piperidin-3-yl]carbamate
CID 172626606
ethyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1H-imidazole-5-carboxylate
CID 142775413
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841
tert-butyl N-[(3S)-1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
CID 91506279
tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate
CID 156749944
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 165437493
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate (CID 70975709) is tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate is CCNc1nc(C)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.
What is the InChIKey of tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate?
The InChIKey is RDORGWSFSFSBLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-6-20-16-15(19)14(10-12(2)21-16)23-9-7-8-13(11-23)22-17(24)25-18(3,4)5/h10,13H,6-9,11,19H2,1-5H3,(H,20,21)(H,22,24)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 70975709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).