3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide

C18H18N4O3 — CID 30269288

IUPAC3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ccc(N4CCCC4)nc3)ccc2N1
InChIInChI=1S/C18H18N4O3/c23-17-11-25-15-9-12(3-5-14(15)21-17)18(24)20-13-4-6-16(19-10-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,20,24)(H,21,23)
InChIKeyCSXLTXDTJMOXEU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.27
Rot. Bonds3

About 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide

3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 30269288) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
PubChem CID30269288
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)Nc3ccc(N4CCCC4)nc3)ccc2N1
InChIInChI=1S/C18H18N4O3/c23-17-11-25-15-9-12(3-5-14(15)21-17)18(24)20-13-4-6-16(19-10-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,20,24)(H,21,23)
InChIKeyCSXLTXDTJMOXEU-UHFFFAOYSA-N
XLogP2.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
N-(1H-imidazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55027632
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30487868
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26702181
3-(2-oxopyrrolidin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217566
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide (CID 30269288) is 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)Nc3ccc(N4CCCC4)nc3)ccc2N1.
What is the InChIKey of 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is CSXLTXDTJMOXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17-11-25-15-9-12(3-5-14(15)21-17)18(24)20-13-4-6-16(19-10-13)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,20,24)(H,21,23).
What are the key properties of 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide?
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 30269288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).