N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide

C16H16N2O2S — CID 102821106

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C#CCCO)ccn2)sc1C
InChIInChI=1S/C16H16N2O2S/c1-11-9-14(21-12(11)2)16(20)18-15-10-13(6-7-17-15)5-3-4-8-19/h6-7,9-10,19H,4,8H2,1-2H3,(H,17,18,20)
InChIKeyMSXPJDMBWORRCR-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.75
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 102821106) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID102821106
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C#CCCO)ccn2)sc1C
InChIInChI=1S/C16H16N2O2S/c1-11-9-14(21-12(11)2)16(20)18-15-10-13(6-7-17-15)5-3-4-8-19/h6-7,9-10,19H,4,8H2,1-2H3,(H,17,18,20)
InChIKeyMSXPJDMBWORRCR-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 102821209
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
4-chloro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 102821179
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
5-(4-hydroxybut-1-ynyl)-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 62959332
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 102821001
(E)-3-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822077
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylfuran-2-carboxamide
CID 102820944
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide (CID 102821106) is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cc(C#CCCO)ccn2)sc1C.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is MSXPJDMBWORRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-9-14(21-12(11)2)16(20)18-15-10-13(6-7-17-15)5-3-4-8-19/h6-7,9-10,19H,4,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 102821106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).