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

C11H14ClN3O2 — CID 83092821

IUPAC4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccnc(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c12-10-5-8(1-2-14-10)6-15-3-4-17-7-9(15)11(13)16/h1-2,5,9H,3-4,6-7H2,(H2,13,16)
InChIKeyKSPDEIBWTJMGMM-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.42
Rot. Bonds3

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

4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide (PubChem CID 83092821) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
PubChem CID83092821
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1ccnc(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c12-10-5-8(1-2-14-10)6-15-3-4-17-7-9(15)11(13)16/h1-2,5,9H,3-4,6-7H2,(H2,13,16)
InChIKeyKSPDEIBWTJMGMM-UHFFFAOYSA-N
XLogP0.42
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.42
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-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
CID 83096353
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83103647
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 105346152
4-[(3-amino-5-methoxyphenyl)methyl]morpholine-3-carboxamide
CID 83101676
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholine-3-carboxamide
CID 83095925

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide (CID 83092821) is 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1ccnc(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide?
The InChIKey is KSPDEIBWTJMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-5-8(1-2-14-10)6-15-3-4-17-7-9(15)11(13)16/h1-2,5,9H,3-4,6-7H2,(H2,13,16).
What are the key properties of 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide?
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83092821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).