N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide

C19H23N3O2 — CID 110360930

IUPACN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc(N(Cc2cccnc2)C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C19H23N3O2/c1-15-5-6-18(12-16(15)2)22(14-17-4-3-7-20-13-17)19(23)21-8-10-24-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyVOASCQQFWVHQHZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.16
Rot. Bonds3

About N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide

N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide (PubChem CID 110360930) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
PubChem CID110360930
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
SMILESCc1ccc(N(Cc2cccnc2)C(=O)N2CCOCC2)cc1C
InChIInChI=1S/C19H23N3O2/c1-15-5-6-18(12-16(15)2)22(14-17-4-3-7-20-13-17)19(23)21-8-10-24-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyVOASCQQFWVHQHZ-UHFFFAOYSA-N
XLogP3.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 110360931
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
4-[[morpholine-4-carbonyl(pyridin-3-yl)amino]methyl]cyclohexa-1,3-diene-1-carboxylic acid
CID 163662226
methyl 4-[[4-fluoro-3-methyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 163940319
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772736
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
3-morpholin-4-ylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110618751
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-pyridin-3-ylmorpholine-4-carboxamide;N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772734

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide (CID 110360930) is N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide is Cc1ccc(N(Cc2cccnc2)C(=O)N2CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide?
The InChIKey is VOASCQQFWVHQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-5-6-18(12-16(15)2)22(14-17-4-3-7-20-13-17)19(23)21-8-10-24-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide?
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 110360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).