3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide

C14H12Cl2N2OS — CID 66482946

IUPAC3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-2-7-18(9-10-3-4-13(16)20-10)14(19)11-5-6-17-8-12(11)15/h2-6,8H,1,7,9H2
InChIKeyRWHLVRROFTWJSU-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.28
Rot. Bonds5

About 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide

3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 66482946) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
PubChem CID66482946
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c1-2-7-18(9-10-3-4-13(16)20-10)14(19)11-5-6-17-8-12(11)15/h2-6,8H,1,7,9H2
InChIKeyRWHLVRROFTWJSU-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 62045486
N-[(5-chlorothiophen-2-yl)methyl]-6-fluoro-N-prop-2-enylpyridine-3-carboxamide
CID 63973559
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 63681418
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbenzamide
CID 107982446
3-chloro-N-(2-phenylsulfanylethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 46995513
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylbenzamide
CID 65311698
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-prop-2-enylbenzamide
CID 81109883
N-[(5-chlorothiophen-2-yl)methyl]-2-piperidin-1-yl-N-prop-2-enylpyridine-3-carboxamide
CID 55756311
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 60646137
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
N-[(5-chlorothiophen-2-yl)methyl]-1-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78890013

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide (CID 66482946) is 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide is C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is RWHLVRROFTWJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-2-7-18(9-10-3-4-13(16)20-10)14(19)11-5-6-17-8-12(11)15/h2-6,8H,1,7,9H2.
What are the key properties of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide?
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 327.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 66482946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).