3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide

C19H22N4O3S — CID 172888045

IUPAC3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESC=CC(=O)N1CCN(c2ccc(NC(=O)c3sccc3OCC)nc2)CC1
InChIInChI=1S/C19H22N4O3S/c1-3-17(24)23-10-8-22(9-11-23)14-5-6-16(20-13-14)21-19(25)18-15(26-4-2)7-12-27-18/h3,5-7,12-13H,1,4,8-11H2,2H3,(H,20,21,25)
InChIKeyNMIFOJQGJRLAQE-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.63
Rot. Bonds6

About 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide

3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 172888045) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID172888045
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESC=CC(=O)N1CCN(c2ccc(NC(=O)c3sccc3OCC)nc2)CC1
InChIInChI=1S/C19H22N4O3S/c1-3-17(24)23-10-8-22(9-11-23)14-5-6-16(20-13-14)21-19(25)18-15(26-4-2)7-12-27-18/h3,5-7,12-13H,1,4,8-11H2,2H3,(H,20,21,25)
InChIKeyNMIFOJQGJRLAQE-UHFFFAOYSA-N
XLogP2.63
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-propan-2-yl-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]pyrazole-5-carboxamide
CID 172888047
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
CID 113029292
1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
4-(2-ethoxyphenoxy)-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948152
ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029329
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 172888045) is 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide is C=CC(=O)N1CCN(c2ccc(NC(=O)c3sccc3OCC)nc2)CC1.
What is the InChIKey of 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is NMIFOJQGJRLAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-17(24)23-10-8-22(9-11-23)14-5-6-16(20-13-14)21-19(25)18-15(26-4-2)7-12-27-18/h3,5-7,12-13H,1,4,8-11H2,2H3,(H,20,21,25).
What are the key properties of 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide?
3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 172888045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).