(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide

C16H27N3O2 — CID 136580567

IUPAC(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)[C@H](C(C)C)N(C)C
InChIInChI=1S/C16H27N3O2/c1-10(2)14(19(5)6)15(20)17-9-13-11(3)8-12(4)18-16(13)21-7/h8,10,14H,9H2,1-7H3,(H,17,20)/t14-/m0/s1
InChIKeyUQNCLURCWLYMEN-AWEZNQCLSA-N
MW293.41 g/mol
LogP1.91
Rot. Bonds6

About (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide

(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide (PubChem CID 136580567) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
PubChem CID136580567
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)[C@H](C(C)C)N(C)C
InChIInChI=1S/C16H27N3O2/c1-10(2)14(19(5)6)15(20)17-9-13-11(3)8-12(4)18-16(13)21-7/h8,10,14H,9H2,1-7H3,(H,17,20)/t14-/m0/s1
InChIKeyUQNCLURCWLYMEN-AWEZNQCLSA-N
XLogP1.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide (CID 136580567) is (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide is COc1nc(C)cc(C)c1CNC(=O)[C@H](C(C)C)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide?
The InChIKey is UQNCLURCWLYMEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(2)14(19(5)6)15(20)17-9-13-11(3)8-12(4)18-16(13)21-7/h8,10,14H,9H2,1-7H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide?
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 136580567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).