3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide

C13H21N3OS — CID 63985285

IUPAC3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
SMILESCCN(Cc1cccc(OC)n1)CC(C)C(N)=S
InChIInChI=1S/C13H21N3OS/c1-4-16(8-10(2)13(14)18)9-11-6-5-7-12(15-11)17-3/h5-7,10H,4,8-9H2,1-3H3,(H2,14,18)
InChIKeyZNJUJPNHPFSEBH-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.83
Rot. Bonds7

About 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide

3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide (PubChem CID 63985285) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
PubChem CID63985285
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
SMILESCCN(Cc1cccc(OC)n1)CC(C)C(N)=S
InChIInChI=1S/C13H21N3OS/c1-4-16(8-10(2)13(14)18)9-11-6-5-7-12(15-11)17-3/h5-7,10H,4,8-9H2,1-3H3,(H2,14,18)
InChIKeyZNJUJPNHPFSEBH-UHFFFAOYSA-N
XLogP1.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanethioamide
CID 64800753
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
N'-[(6-methoxy-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 63993127
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
2-N,2-diethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]butane-1,2-diamine
CID 63993136
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
CID 63992949
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
3-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropanethioamide
CID 54987523
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]butan-1-amine
CID 63984550
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide (CID 63985285) is 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide is CCN(Cc1cccc(OC)n1)CC(C)C(N)=S.
What is the InChIKey of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide?
The InChIKey is ZNJUJPNHPFSEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-16(8-10(2)13(14)18)9-11-6-5-7-12(15-11)17-3/h5-7,10H,4,8-9H2,1-3H3,(H2,14,18).
What are the key properties of 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide?
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide has a molecular weight of 267.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide is sourced from PubChem (CID 63985285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).