2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

C27H30ClN3O3S — CID 3574375

IUPAC2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2scc(C)c2Cl)CC1
InChIInChI=1S/C27H30ClN3O3S/c1-4-34-22-8-6-5-7-20(22)15-29-26(32)21-10-9-18(3)30-24(21)19-11-13-31(14-12-19)27(33)25-23(28)17(2)16-35-25/h5-10,16,19H,4,11-15H2,1-3H3,(H,29,32)
InChIKeySGNNGOLRKQUUHN-UHFFFAOYSA-N
MW512.08 g/mol
LogP5.76
Rot. Bonds7

About 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide

2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 3574375) has the molecular formula C27H30ClN3O3S and a molecular weight of 512.08 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID3574375
Molecular FormulaC27H30ClN3O3S
Molecular Weight512.08 g/mol
Exact Mass511.17
IUPAC Name2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2scc(C)c2Cl)CC1
InChIInChI=1S/C27H30ClN3O3S/c1-4-34-22-8-6-5-7-20(22)15-29-26(32)21-10-9-18(3)30-24(21)19-11-13-31(14-12-19)27(33)25-23(28)17(2)16-35-25/h5-10,16,19H,4,11-15H2,1-3H3,(H,29,32)
InChIKeySGNNGOLRKQUUHN-UHFFFAOYSA-N
XLogP5.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chlorofuran-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3689862
2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3415479
[2-[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 3434029
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3861457
ethyl 2-[[4-[3-[(2-ethoxyphenyl)methylcarbamoyl]-6-methyl-2-pyridinyl]piperidine-1-carbothioyl]amino]propanoate
CID 3700653
N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3760709
2-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3436160
N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 5003727
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide (CID 3574375) is 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2scc(C)c2Cl)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SGNNGOLRKQUUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O3S/c1-4-34-22-8-6-5-7-20(22)15-29-26(32)21-10-9-18(3)30-24(21)19-11-13-31(14-12-19)27(33)25-23(28)17(2)16-35-25/h5-10,16,19H,4,11-15H2,1-3H3,(H,29,32).
What are the key properties of 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide?
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 512.08 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3574375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).