3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide

C17H19N3O3 — CID 69441360

IUPAC3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(-n3ccccc3=O)cc2)CCCOC1
InChIInChI=1S/C17H19N3O3/c18-17(9-3-11-23-12-17)16(22)19-13-5-7-14(8-6-13)20-10-2-1-4-15(20)21/h1-2,4-8,10H,3,9,11-12,18H2,(H,19,22)
InChIKeyNEFAVFBMQOVQDM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide

3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide (PubChem CID 69441360) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide
PubChem CID69441360
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide
SMILESNC1(C(=O)Nc2ccc(-n3ccccc3=O)cc2)CCCOC1
InChIInChI=1S/C17H19N3O3/c18-17(9-3-11-23-12-17)16(22)19-13-5-7-14(8-6-13)20-10-2-1-4-15(20)21/h1-2,4-8,10H,3,9,11-12,18H2,(H,19,22)
InChIKeyNEFAVFBMQOVQDM-UHFFFAOYSA-N
XLogP1.28
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967
4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64892992
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
3-methylsulfanyl-N-[4-(2-oxo-1-pyridinyl)phenyl]propanamide
CID 70346946
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-N-(2-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 64894020

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide (CID 69441360) is 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide is NC1(C(=O)Nc2ccc(-n3ccccc3=O)cc2)CCCOC1.
What is the InChIKey of 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide?
The InChIKey is NEFAVFBMQOVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-17(9-3-11-23-12-17)16(22)19-13-5-7-14(8-6-13)20-10-2-1-4-15(20)21/h1-2,4-8,10H,3,9,11-12,18H2,(H,19,22).
What are the key properties of 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide?
3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 69441360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).