2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide

C15H22N2O3S — CID 164633706

IUPAC2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C2CC2)c1)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-4-17(11(2)10-21(3,19)20)15(18)13-7-8-16-14(9-13)12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3/t11-/m0/s1
InChIKeyZKQGKAJRINSCBT-NSHDSACASA-N
MW310.42 g/mol
LogP1.85
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide

2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 164633706) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide
PubChem CID164633706
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(C2CC2)c1)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-4-17(11(2)10-21(3,19)20)15(18)13-7-8-16-14(9-13)12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3/t11-/m0/s1
InChIKeyZKQGKAJRINSCBT-NSHDSACASA-N
XLogP1.85
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide (CID 164633706) is 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide is CCN(C(=O)c1ccnc(C2CC2)c1)[C@@H](C)CS(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is ZKQGKAJRINSCBT-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-17(11(2)10-21(3,19)20)15(18)13-7-8-16-14(9-13)12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide?
2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 164633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).