2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide

C20H23ClFN3O2 — CID 178093607

IUPAC2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)c(F)c(Cl)n2)cc1
InChIInChI=1S/C20H23ClFN3O2/c1-3-27-15-8-6-13(7-9-15)17-11-16(18(22)19(21)24-17)20(26)23-14-5-4-10-25(2)12-14/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKeyZECXNMTXOISAAH-AWEZNQCLSA-N
MW391.87 g/mol
LogP3.76
Rot. Bonds5

About 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide

2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide (PubChem CID 178093607) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
PubChem CID178093607
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)c(F)c(Cl)n2)cc1
InChIInChI=1S/C20H23ClFN3O2/c1-3-27-15-8-6-13(7-9-15)17-11-16(18(22)19(21)24-17)20(26)23-14-5-4-10-25(2)12-14/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,23,26)/t14-/m0/s1
InChIKeyZECXNMTXOISAAH-AWEZNQCLSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
CID 178093334
2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane
CID 178093408
2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
CID 178093419
3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591756
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
1-[4-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 178093572
1-[4-[(1-methylpiperidin-3-yl)carbamoyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 178093555
2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
CID 178093355
5-ethoxy-3-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-2-carboxamide
CID 51497965
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591808
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide (CID 178093607) is 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide is CCOc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)c(F)c(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is ZECXNMTXOISAAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23ClFN3O2/c1-3-27-15-8-6-13(7-9-15)17-11-16(18(22)19(21)24-17)20(26)23-14-5-4-10-25(2)12-14/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,23,26)/t14-/m0/s1.
What are the key properties of 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?
2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 391.87 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 178093607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).