N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide

C11H14ClN3O2 — CID 113266715

IUPACN-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)C1COCCN1
InChIInChI=1S/C11H14ClN3O2/c1-7-4-10(12)14-5-8(7)15-11(16)9-6-17-3-2-13-9/h4-5,9,13H,2-3,6H2,1H3,(H,15,16)
InChIKeyBZNFHEZOKXKFQQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.97
Rot. Bonds2

About N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide

N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide (PubChem CID 113266715) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
PubChem CID113266715
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide
SMILESCc1cc(Cl)ncc1NC(=O)C1COCCN1
InChIInChI=1S/C11H14ClN3O2/c1-7-4-10(12)14-5-8(7)15-11(16)9-6-17-3-2-13-9/h4-5,9,13H,2-3,6H2,1H3,(H,15,16)
InChIKeyBZNFHEZOKXKFQQ-UHFFFAOYSA-N
XLogP0.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-(6-chloro-4-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 113264161
N-(2-methyl-3-pyridinyl)morpholine-3-carboxamide
CID 79043286
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-3-carboxamide;hydrochloride
CID 119697727
N-(2-bromo-5-methylphenyl)morpholine-3-carboxamide
CID 82757225
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-3-carboxamide
CID 119713511
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
N-(3,5-dibromo-2-pyridinyl)morpholine-3-carboxamide
CID 129248527

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide (CID 113266715) is N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide is Cc1cc(Cl)ncc1NC(=O)C1COCCN1.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide?
The InChIKey is BZNFHEZOKXKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-4-10(12)14-5-8(7)15-11(16)9-6-17-3-2-13-9/h4-5,9,13H,2-3,6H2,1H3,(H,15,16).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide?
N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)morpholine-3-carboxamide is sourced from PubChem (CID 113266715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).