2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide

C14H22N4O2S — CID 43301773

IUPAC2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1ccc(N)nc1
InChIInChI=1S/C14H22N4O2S/c1-4-18(8-13(19)17-10(2)3)14(20)9-21-11-5-6-12(15)16-7-11/h5-7,10H,4,8-9H2,1-3H3,(H2,15,16)(H,17,19)
InChIKeyBLADQFDFHIWBRD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.13
Rot. Bonds7

About 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide

2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 43301773) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID43301773
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CSc1ccc(N)nc1
InChIInChI=1S/C14H22N4O2S/c1-4-18(8-13(19)17-10(2)3)14(20)9-21-11-5-6-12(15)16-7-11/h5-7,10H,4,8-9H2,1-3H3,(H2,15,16)(H,17,19)
InChIKeyBLADQFDFHIWBRD-UHFFFAOYSA-N
XLogP1.13
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]-N-propan-2-ylacetamide
CID 17435061
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 43302053
2-[(6-amino-3-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309763
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
2-[ethyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 41481145
2-[[2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24505569
2-[ethyl-[2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 17445468
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24657890
2-[ethyl-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 24576230
2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18131175
2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 17440164
2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 116642302

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide (CID 43301773) is 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)CSc1ccc(N)nc1.
What is the InChIKey of 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is BLADQFDFHIWBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-18(8-13(19)17-10(2)3)14(20)9-21-11-5-6-12(15)16-7-11/h5-7,10H,4,8-9H2,1-3H3,(H2,15,16)(H,17,19).
What are the key properties of 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-amino-3-pyridinyl)sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43301773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).