3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene

C20H27N3O2S — CID 143022700

IUPAC3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene
SMILESC=CC.CCCCCC(=O)Nc1ccsc1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C17H21N3O2S.C3H6/c1-3-4-5-6-15(21)19-13-9-10-23-16(13)17(22)20-14-8-7-12(2)11-18-14;1-3-2/h7-11H,3-6H2,1-2H3,(H,19,21)(H,18,20,22);3H,1H2,2H3
InChIKeyVDBVKJQXASWZHZ-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.41
Rot. Bonds7

About 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene

3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene (PubChem CID 143022700) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene.

Molecular Properties

Compound Name3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene
PubChem CID143022700
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene
SMILESC=CC.CCCCCC(=O)Nc1ccsc1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C17H21N3O2S.C3H6/c1-3-4-5-6-15(21)19-13-9-10-23-16(13)17(22)20-14-8-7-12(2)11-18-14;1-3-2/h7-11H,3-6H2,1-2H3,(H,19,21)(H,18,20,22);3H,1H2,2H3
InChIKeyVDBVKJQXASWZHZ-UHFFFAOYSA-N
XLogP5.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 61093920
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate
CID 17087454
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429
N-(5-bromo-2-pyridinyl)-3-[[4-(N-methyl-N-pentylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 89063527
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-(5-methylpyrazin-2-yl)hexanamide
CID 59059045

Frequently Asked Questions

What is the IUPAC name of 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene?
The IUPAC name of 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene (CID 143022700) is 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene.
What is the SMILES notation for 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene?
The canonical SMILES for 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene is C=CC.CCCCCC(=O)Nc1ccsc1C(=O)Nc1ccc(C)cn1.
What is the InChIKey of 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene?
The InChIKey is VDBVKJQXASWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.C3H6/c1-3-4-5-6-15(21)19-13-9-10-23-16(13)17(22)20-14-8-7-12(2)11-18-14;1-3-2/h7-11H,3-6H2,1-2H3,(H,19,21)(H,18,20,22);3H,1H2,2H3.
What are the key properties of 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene?
3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene has a molecular weight of 373.52 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene is sourced from PubChem (CID 143022700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).