N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide

C16H19N3O2S — CID 3231570

IUPACN-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCCCCC(=O)Nc1cnc(NC(=O)c2cccs2)cc1C
InChIInChI=1S/C16H19N3O2S/c1-3-4-7-15(20)18-12-10-17-14(9-11(12)2)19-16(21)13-6-5-8-22-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyBXYHZHZUXDVMDU-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.83
Rot. Bonds6

About N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide

N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 3231570) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID3231570
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCCCCC(=O)Nc1cnc(NC(=O)c2cccs2)cc1C
InChIInChI=1S/C16H19N3O2S/c1-3-4-7-15(20)18-12-10-17-14(9-11(12)2)19-16(21)13-6-5-8-22-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyBXYHZHZUXDVMDU-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide (CID 3231570) is N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide is CCCCC(=O)Nc1cnc(NC(=O)c2cccs2)cc1C.
What is the InChIKey of N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is BXYHZHZUXDVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-4-7-15(20)18-12-10-17-14(9-11(12)2)19-16(21)13-6-5-8-22-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(pentanoylamino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 3231570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).