N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide

C16H20N4O2S — CID 30294941

IUPACN-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cn1
InChIInChI=1S/C16H20N4O2S/c1-20(2)14-8-7-12(11-18-14)19-15(21)6-3-9-17-16(22)13-5-4-10-23-13/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyQOPBHYIAZIYEPW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 30294941) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID30294941
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cn1
InChIInChI=1S/C16H20N4O2S/c1-20(2)14-8-7-12(11-18-14)19-15(21)6-3-9-17-16(22)13-5-4-10-23-13/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyQOPBHYIAZIYEPW-UHFFFAOYSA-N
XLogP2.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]butanamide
CID 63308097
N-[4-oxo-4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)butyl]thiophene-2-carboxamide
CID 42280483
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51274545
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
N-[4-[4-(dimethylamino)-2-(trifluoromethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55642461
N-[4-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-4-oxobutyl]thiophene-2-carboxamide
CID 55745271
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
2-methyl-2-[4-[3-(thiophene-2-carbonylamino)propanoylamino]pyrazol-1-yl]propanoic acid
CID 120696381

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide (CID 30294941) is N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide is CN(C)c1ccc(NC(=O)CCCNC(=O)c2cccs2)cn1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is QOPBHYIAZIYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-20(2)14-8-7-12(11-18-14)19-15(21)6-3-9-17-16(22)13-5-4-10-23-13/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 30294941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).