N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide

C17H19N3O2 — CID 94249234

IUPACN-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C17H19N3O2/c21-17(15-2-1-7-18-13-15)19-12-14-3-5-16(6-4-14)20-8-10-22-11-9-20/h1-7,13H,8-12H2,(H,19,21)
InChIKeyINSTYHZPIVXTBO-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.85
Rot. Bonds4

About N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide

N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 94249234) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID94249234
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C17H19N3O2/c21-17(15-2-1-7-18-13-15)19-12-14-3-5-16(6-4-14)20-8-10-22-11-9-20/h1-7,13H,8-12H2,(H,19,21)
InChIKeyINSTYHZPIVXTBO-UHFFFAOYSA-N
XLogP1.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51092491
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
N-[[4-[4-(4-phenylpiperazin-1-yl)butyl]phenyl]methyl]pyridine-3-carboxamide
CID 139880359
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide (CID 94249234) is N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is INSTYHZPIVXTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(15-2-1-7-18-13-15)19-12-14-3-5-16(6-4-14)20-8-10-22-11-9-20/h1-7,13H,8-12H2,(H,19,21).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 94249234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).