N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide

C14H15ClN2O2S — CID 94034384

IUPACN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C14H15ClN2O2S/c1-3-19-13-7-4-10(8-16-13)14(18)17-9(2)11-5-6-12(15)20-11/h4-9H,3H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyRBCPKLFCIBNVHV-VIFPVBQESA-N
MW310.81 g/mol
LogP3.69
Rot. Bonds5

About N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 94034384) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
PubChem CID94034384
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cn1
InChIInChI=1S/C14H15ClN2O2S/c1-3-19-13-7-4-10(8-16-13)14(18)17-9(2)11-5-6-12(15)20-11/h4-9H,3H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyRBCPKLFCIBNVHV-VIFPVBQESA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
CID 52501301
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 71938396
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377674
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86825465
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide (CID 94034384) is N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cn1.
What is the InChIKey of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is RBCPKLFCIBNVHV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-3-19-13-7-4-10(8-16-13)14(18)17-9(2)11-5-6-12(15)20-11/h4-9H,3H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide?
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 94034384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).