4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C14H18N4O3 — CID 86715331

IUPAC4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOC1CN(c2ncc(C3=CCN(C(=O)O)CC3)cn2)C1
InChIInChI=1S/C14H18N4O3/c1-21-12-8-18(9-12)13-15-6-11(7-16-13)10-2-4-17(5-3-10)14(19)20/h2,6-7,12H,3-5,8-9H2,1H3,(H,19,20)
InChIKeyFHMCMXRZCPQZND-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds3

About 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 86715331) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID86715331
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOC1CN(c2ncc(C3=CCN(C(=O)O)CC3)cn2)C1
InChIInChI=1S/C14H18N4O3/c1-21-12-8-18(9-12)13-15-6-11(7-16-13)10-2-4-17(5-3-10)14(19)20/h2,6-7,12H,3-5,8-9H2,1H3,(H,19,20)
InChIKeyFHMCMXRZCPQZND-UHFFFAOYSA-N
XLogP1.08
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
4-[4-(1-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 151937084
tert-butyl 8-[5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 163401141
4-(4-ethoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175762548
(E)-3-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid
CID 103536011
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
CID 121201375
tert-butyl 4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142740284
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
methyl 4-[6-(methylaminomethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163383041
4-[5-fluoro-6-[(4-methylsulfonylphenoxy)methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67083188
2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120699144
4-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 22397819

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 86715331) is 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is COC1CN(c2ncc(C3=CCN(C(=O)O)CC3)cn2)C1.
What is the InChIKey of 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is FHMCMXRZCPQZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-21-12-8-18(9-12)13-15-6-11(7-16-13)10-2-4-17(5-3-10)14(19)20/h2,6-7,12H,3-5,8-9H2,1H3,(H,19,20).
What are the key properties of 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 86715331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).