N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide

C20H26N2O4S — CID 97028177

IUPACN-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(OCc2ccccc2)nc1)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C20H26N2O4S/c1-4-22(16(3)15-27(24,25)5-2)20(23)18-11-12-19(21-13-18)26-14-17-9-7-6-8-10-17/h6-13,16H,4-5,14-15H2,1-3H3/t16-/m1/s1
InChIKeyQZHZRQQIJDDFAX-MRXNPFEDSA-N
MW390.51 g/mol
LogP2.95
Rot. Bonds9

About N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide

N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 97028177) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide
PubChem CID97028177
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(OCc2ccccc2)nc1)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C20H26N2O4S/c1-4-22(16(3)15-27(24,25)5-2)20(23)18-11-12-19(21-13-18)26-14-17-9-7-6-8-10-17/h6-13,16H,4-5,14-15H2,1-3H3/t16-/m1/s1
InChIKeyQZHZRQQIJDDFAX-MRXNPFEDSA-N
XLogP2.95
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119129552
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
2-[butan-2-yl-(2-phenylmethoxypyridine-4-carbonyl)amino]acetic acid
CID 120529904
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
CID 95277197
N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide
CID 87002397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide (CID 97028177) is N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide is CCN(C(=O)c1ccc(OCc2ccccc2)nc1)[C@H](C)CS(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide?
The InChIKey is QZHZRQQIJDDFAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-22(16(3)15-27(24,25)5-2)20(23)18-11-12-19(21-13-18)26-14-17-9-7-6-8-10-17/h6-13,16H,4-5,14-15H2,1-3H3/t16-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide?
N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-6-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 97028177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).