5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid

C16H15ClN4O3 — CID 141193609

IUPAC5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(Nc1ccccc1)NC1CN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C16H15ClN4O3/c17-13-6-10(15(22)23)7-18-14(13)21-8-12(9-21)20-16(24)19-11-4-2-1-3-5-11/h1-7,12H,8-9H2,(H,22,23)(H2,19,20,24)
InChIKeyMYZBVCJBTAXPPR-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 141193609) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid
PubChem CID141193609
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(Nc1ccccc1)NC1CN(c2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C16H15ClN4O3/c17-13-6-10(15(22)23)7-18-14(13)21-8-12(9-21)20-16(24)19-11-4-2-1-3-5-11/h1-7,12H,8-9H2,(H,22,23)(H2,19,20,24)
InChIKeyMYZBVCJBTAXPPR-UHFFFAOYSA-N
XLogP2.44
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid (CID 141193609) is 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid is O=C(Nc1ccccc1)NC1CN(c2ncc(C(=O)O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MYZBVCJBTAXPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c17-13-6-10(15(22)23)7-18-14(13)21-8-12(9-21)20-16(24)19-11-4-2-1-3-5-11/h1-7,12H,8-9H2,(H,22,23)(H2,19,20,24).
What are the key properties of 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 346.77 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141193609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).