[2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone

C19H27N3OS — CID 15135672

IUPAC[2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone
SMILESCCN(CC)CCCC(C)Nc1ncccc1C(=O)c1cccs1
InChIInChI=1S/C19H27N3OS/c1-4-22(5-2)13-7-9-15(3)21-19-16(10-6-12-20-19)18(23)17-11-8-14-24-17/h6,8,10-12,14-15H,4-5,7,9,13H2,1-3H3,(H,20,21)
InChIKeyRAMOMOIRAOWZDC-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.30
Rot. Bonds10

About [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone

[2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone (PubChem CID 15135672) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone
PubChem CID15135672
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name[2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone
SMILESCCN(CC)CCCC(C)Nc1ncccc1C(=O)c1cccs1
InChIInChI=1S/C19H27N3OS/c1-4-22(5-2)13-7-9-15(3)21-19-16(10-6-12-20-19)18(23)17-11-8-14-24-17/h6,8,10-12,14-15H,4-5,7,9,13H2,1-3H3,(H,20,21)
InChIKeyRAMOMOIRAOWZDC-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762160
[2-[9-(diethylamino)nonyl]-4-methylphenyl]-thiophen-2-ylmethanone
CID 139658676
2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030
N-[5-(diethylamino)pentan-2-yl]-2-[(9-ethylcarbazol-3-yl)amino]pyridine-3-carboxamide
CID 138585819
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220

Frequently Asked Questions

What is the IUPAC name of [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone (CID 15135672) is [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone is CCN(CC)CCCC(C)Nc1ncccc1C(=O)c1cccs1.
What is the InChIKey of [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone?
The InChIKey is RAMOMOIRAOWZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-4-22(5-2)13-7-9-15(3)21-19-16(10-6-12-20-19)18(23)17-11-8-14-24-17/h6,8,10-12,14-15H,4-5,7,9,13H2,1-3H3,(H,20,21).
What are the key properties of [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone?
[2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone has a molecular weight of 345.51 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(diethylamino)pentan-2-ylamino]-3-pyridinyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 15135672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).