2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid

C14H19N3O4 — CID 83101946

IUPAC2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H19N3O4/c1-9(2)16-13(18)11-8-21-6-5-17(11)12-7-10(14(19)20)3-4-15-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBKKULXBYEQNMRE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.51
Rot. Bonds4

About 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid

2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid (PubChem CID 83101946) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
PubChem CID83101946
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1c1cc(C(=O)O)ccn1
InChIInChI=1S/C14H19N3O4/c1-9(2)16-13(18)11-8-21-6-5-17(11)12-7-10(14(19)20)3-4-15-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBKKULXBYEQNMRE-UHFFFAOYSA-N
XLogP0.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
CID 114074932
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
N-cyclopropyl-4-[4-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102212
4-(6-hydrazinyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105801
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105110
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-[[4-(methylamino)-2-pyridinyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83105350
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 114845828

Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid (CID 83101946) is 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid is CC(C)NC(=O)C1COCCN1c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is BKKULXBYEQNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)16-13(18)11-8-21-6-5-17(11)12-7-10(14(19)20)3-4-15-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid?
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 83101946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).