2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid

C11H13N3O3 — CID 114324863

IUPAC2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CCCNC2=O)c1
InChIInChI=1S/C11H13N3O3/c15-10(16)8-2-4-12-9(6-8)7-14-5-1-3-13-11(14)17/h2,4,6H,1,3,5,7H2,(H,13,17)(H,15,16)
InChIKeyBYGOQVRBCBMEAX-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.70
Rot. Bonds3

About 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid

2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 114324863) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
PubChem CID114324863
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CCCNC2=O)c1
InChIInChI=1S/C11H13N3O3/c15-10(16)8-2-4-12-9(6-8)7-14-5-1-3-13-11(14)17/h2,4,6H,1,3,5,7H2,(H,13,17)(H,15,16)
InChIKeyBYGOQVRBCBMEAX-UHFFFAOYSA-N
XLogP0.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
CID 114325420
2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508
2-[[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-oxo-1,4-diazepan-1-yl]methyl]pyridine-4-carboxylic acid
CID 139400943
2-[[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324081
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-2-one
CID 79251120
2-[(4-benzhydryl-1,4-diazepan-1-yl)methyl]pyridine-4-carboxylic acid
CID 89474862

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid (CID 114324863) is 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2CCCNC2=O)c1.
What is the InChIKey of 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is BYGOQVRBCBMEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(16)8-2-4-12-9(6-8)7-14-5-1-3-13-11(14)17/h2,4,6H,1,3,5,7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid?
2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).