(5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one

C17H27N3O2 — CID 167024030

IUPAC(5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(C(C)(C)C)cc(C)c1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C17H27N3O2/c1-11-8-14(17(2,3)4)20-16(22-5)13(11)10-18-9-12-6-7-15(21)19-12/h8,12,18H,6-7,9-10H2,1-5H3,(H,19,21)/t12-/m0/s1
InChIKeyQNKLOVYTJCATNS-LBPRGKRZSA-N
MW305.42 g/mol
LogP2.06
Rot. Bonds5

About (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one

(5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 167024030) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID167024030
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(C(C)(C)C)cc(C)c1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C17H27N3O2/c1-11-8-14(17(2,3)4)20-16(22-5)13(11)10-18-9-12-6-7-15(21)19-12/h8,12,18H,6-7,9-10H2,1-5H3,(H,19,21)/t12-/m0/s1
InChIKeyQNKLOVYTJCATNS-LBPRGKRZSA-N
XLogP2.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclobutylmethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170234644
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[4-fluoro-6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-4-fluoro-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 166516233
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
N-[3-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-methylphenyl]-2-methyl-3-oxopyridazine-4-carboxamide
CID 168812498
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727440
5-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529325
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 171489768
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
2-[[6-[[(1S)-4-[2-chloro-3-[6-methoxy-4-methyl-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-5-methyl-3-pyridinyl]methylamino]-2-methylpropanoic acid
CID 146297404
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
5-[[[5-[3-[3-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-6-methoxy-4-methyl-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170234666

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one (CID 167024030) is (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one is COc1nc(C(C)(C)C)cc(C)c1CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is QNKLOVYTJCATNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11-8-14(17(2,3)4)20-16(22-5)13(11)10-18-9-12-6-7-15(21)19-12/h8,12,18H,6-7,9-10H2,1-5H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one?
(5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 305.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(6-tert-butyl-2-methoxy-4-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 167024030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).