N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide

C18H21N3O4 — CID 119847595

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)C3COCCN3)cn2)c1
InChIInChI=1S/C18H21N3O4/c1-23-14-3-2-4-15(9-14)25-17-6-5-13(10-20-17)11-21-18(22)16-12-24-8-7-19-16/h2-6,9-10,16,19H,7-8,11-12H2,1H3,(H,21,22)
InChIKeyBYPGNJJNRDWGTE-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.49
Rot. Bonds6

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide (PubChem CID 119847595) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
PubChem CID119847595
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)C3COCCN3)cn2)c1
InChIInChI=1S/C18H21N3O4/c1-23-14-3-2-4-15(9-14)25-17-6-5-13(10-20-17)11-21-18(22)16-12-24-8-7-19-16/h2-6,9-10,16,19H,7-8,11-12H2,1H3,(H,21,22)
InChIKeyBYPGNJJNRDWGTE-UHFFFAOYSA-N
XLogP1.49
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
CID 120797994
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide (CID 119847595) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide is COc1cccc(Oc2ccc(CNC(=O)C3COCCN3)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
The InChIKey is BYPGNJJNRDWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-14-3-2-4-15(9-14)25-17-6-5-13(10-20-17)11-21-18(22)16-12-24-8-7-19-16/h2-6,9-10,16,19H,7-8,11-12H2,1H3,(H,21,22).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119847595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).