N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H17N3O2S — CID 56809859

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(=O)[nH]c1)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-17(2)11(12-4-3-7-20-12)9-16-14(19)10-5-6-13(18)15-8-10/h3-8,11H,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJWVCTHNPTAYZMJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56809859) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56809859
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(=O)[nH]c1)c1cccs1
InChIInChI=1S/C14H17N3O2S/c1-17(2)11(12-4-3-7-20-12)9-16-14(19)10-5-6-13(18)15-8-10/h3-8,11H,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJWVCTHNPTAYZMJ-UHFFFAOYSA-N
XLogP1.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
CID 9551015
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 4787847
5-Pyrimidinecarboxamide,1,2,3,4-tetrahydro-N,N,6-trimethyl-2-oxo-4-(2-thienyl)-(9CI)
CID 2925611
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
N-[2-(3-methylbutylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4104414
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56809859) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide is CN(C)C(CNC(=O)c1ccc(=O)[nH]c1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JWVCTHNPTAYZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(2)11(12-4-3-7-20-12)9-16-14(19)10-5-6-13(18)15-8-10/h3-8,11H,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).