4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide

C14H20ClN3O2 — CID 83099400

IUPAC4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1cccnc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-2-5-17-14(19)12-10-20-8-7-18(12)9-11-4-3-6-16-13(11)15/h3-4,6,12H,2,5,7-10H2,1H3,(H,17,19)
InChIKeyMVMFOXYCBYZAQI-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.46
Rot. Bonds5

About 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide

4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83099400) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
PubChem CID83099400
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1cccnc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-2-5-17-14(19)12-10-20-8-7-18(12)9-11-4-3-6-16-13(11)15/h3-4,6,12H,2,5,7-10H2,1H3,(H,17,19)
InChIKeyMVMFOXYCBYZAQI-UHFFFAOYSA-N
XLogP1.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
N-ethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83103290
4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83098821
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901
4-[[2-(propylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095743
4-[(4-hydrazinyl-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83105186
4-[[2-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095840
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide (CID 83099400) is 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1Cc1cccnc1Cl.
What is the InChIKey of 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is MVMFOXYCBYZAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-2-5-17-14(19)12-10-20-8-7-18(12)9-11-4-3-6-16-13(11)15/h3-4,6,12H,2,5,7-10H2,1H3,(H,17,19).
What are the key properties of 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide?
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83099400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).