N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide

C17H19N3O3 — CID 110705497

IUPACN-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(2)23-15-7-5-14(6-8-15)20-16(21)11-19-17(22)13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMXCIVJJJALIQQY-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.24
Rot. Bonds6

About N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide

N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide (PubChem CID 110705497) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
PubChem CID110705497
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(2)23-15-7-5-14(6-8-15)20-16(21)11-19-17(22)13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMXCIVJJJALIQQY-UHFFFAOYSA-N
XLogP2.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide (CID 110705497) is N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide is CC(C)Oc1ccc(NC(=O)CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is MXCIVJJJALIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(2)23-15-7-5-14(6-8-15)20-16(21)11-19-17(22)13-4-3-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide?
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110705497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).