(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide

C14H22N2O2 — CID 94182165

IUPAC(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)OCC(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-10(2)9-18-12(4)14(17)16-8-13-6-5-11(3)15-7-13/h5-7,10,12H,8-9H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyDPZJPNPQUGLMLC-LBPRGKRZSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds6

About (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide

(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 94182165) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
PubChem CID94182165
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)OCC(C)C)cn1
InChIInChI=1S/C14H22N2O2/c1-10(2)9-18-12(4)14(17)16-8-13-6-5-11(3)15-7-13/h5-7,10,12H,8-9H2,1-4H3,(H,16,17)/t12-/m0/s1
InChIKeyDPZJPNPQUGLMLC-LBPRGKRZSA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94204725
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
2-cyano-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55211780
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 55141686
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide (CID 94182165) is (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide is Cc1ccc(CNC(=O)[C@H](C)OCC(C)C)cn1.
What is the InChIKey of (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is DPZJPNPQUGLMLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)9-18-12(4)14(17)16-8-13-6-5-11(3)15-7-13/h5-7,10,12H,8-9H2,1-4H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
(2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropoxy)-N-[(6-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 94182165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).