N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide

C18H21N3O2 — CID 109228561

IUPACN-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H21N3O2/c1-14-4-2-3-5-15(14)12-20-18(22)16-10-17(13-19-11-16)21-6-8-23-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,22)
InChIKeyRVZVNBDSSAVFNO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.16
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide

N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 109228561) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID109228561
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H21N3O2/c1-14-4-2-3-5-15(14)12-20-18(22)16-10-17(13-19-11-16)21-6-8-23-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,22)
InChIKeyRVZVNBDSSAVFNO-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231990
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
5-morpholin-4-yl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 136554169
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide (CID 109228561) is N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is RVZVNBDSSAVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-4-2-3-5-15(14)12-20-18(22)16-10-17(13-19-11-16)21-6-8-23-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,22).
What are the key properties of N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide?
N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 109228561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).