4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide

C13H19ClN4O2 — CID 83106772

IUPAC4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ncc(Cl)cc1N
InChIInChI=1S/C13H19ClN4O2/c1-2-3-16-13(19)11-8-20-5-4-18(11)12-10(15)6-9(14)7-17-12/h6-7,11H,2-5,8,15H2,1H3,(H,16,19)
InChIKeyLQCUHVYCQPNYQM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.05
Rot. Bonds4

About 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide

4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide (PubChem CID 83106772) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
PubChem CID83106772
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1ncc(Cl)cc1N
InChIInChI=1S/C13H19ClN4O2/c1-2-3-16-13(19)11-8-20-5-4-18(11)12-10(15)6-9(14)7-17-12/h6-7,11H,2-5,8,15H2,1H3,(H,16,19)
InChIKeyLQCUHVYCQPNYQM-UHFFFAOYSA-N
XLogP1.05
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-(3-amino-5-bromo-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83107189
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754
4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
CID 83097570

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide (CID 83106772) is 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1ncc(Cl)cc1N.
What is the InChIKey of 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
The InChIKey is LQCUHVYCQPNYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-2-3-16-13(19)11-8-20-5-4-18(11)12-10(15)6-9(14)7-17-12/h6-7,11H,2-5,8,15H2,1H3,(H,16,19).
What are the key properties of 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide?
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83106772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).