N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide

C12H17N3O3 — CID 34677256

IUPACN-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
SMILESCOc1cc(CNC(=O)N2CCOCC2)ccn1
InChIInChI=1S/C12H17N3O3/c1-17-11-8-10(2-3-13-11)9-14-12(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16)
InChIKeyGSGYTCIXXQZVRR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.63
Rot. Bonds3

About N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide (PubChem CID 34677256) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
PubChem CID34677256
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
SMILESCOc1cc(CNC(=O)N2CCOCC2)ccn1
InChIInChI=1S/C12H17N3O3/c1-17-11-8-10(2-3-13-11)9-14-12(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16)
InChIKeyGSGYTCIXXQZVRR-UHFFFAOYSA-N
XLogP0.63
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
N-[(2-methoxy-4-pyridinyl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18167458
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 138022504
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 47032081
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide (CID 34677256) is N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide is COc1cc(CNC(=O)N2CCOCC2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
The InChIKey is GSGYTCIXXQZVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-8-10(2-3-13-11)9-14-12(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,16).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 34677256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).