N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide

C20H26N4O3 — CID 142177144

IUPACN-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCOC(CNC(=O)c2ccncc2)C1.O=CNCc1ccccc1
InChIInChI=1S/C12H17N3O2.C8H9NO/c1-15-6-7-17-11(9-15)8-14-12(16)10-2-4-13-5-3-10;10-7-9-6-8-4-2-1-3-5-8/h2-5,11H,6-9H2,1H3,(H,14,16);1-5,7H,6H2,(H,9,10)
InChIKeyRNNHGVLOCXORHM-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.07
Rot. Bonds6

About N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide

N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 142177144) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID142177144
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESCN1CCOC(CNC(=O)c2ccncc2)C1.O=CNCc1ccccc1
InChIInChI=1S/C12H17N3O2.C8H9NO/c1-15-6-7-17-11(9-15)8-14-12(16)10-2-4-13-5-3-10;10-7-9-6-8-4-2-1-3-5-8/h2-5,11H,6-9H2,1H3,(H,14,16);1-5,7H,6H2,(H,9,10)
InChIKeyRNNHGVLOCXORHM-UHFFFAOYSA-N
XLogP1.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide;2-methyl-4-phenylbutan-1-imine
CID 142176901
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 126452002
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
N-[3-[[(2R)-4-methylmorpholin-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 94816221

Frequently Asked Questions

What is the IUPAC name of N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide (CID 142177144) is N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide is CN1CCOC(CNC(=O)c2ccncc2)C1.O=CNCc1ccccc1.
What is the InChIKey of N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RNNHGVLOCXORHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C8H9NO/c1-15-6-7-17-11(9-15)8-14-12(16)10-2-4-13-5-3-10;10-7-9-6-8-4-2-1-3-5-8/h2-5,11H,6-9H2,1H3,(H,14,16);1-5,7H,6H2,(H,9,10).
What are the key properties of N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylformamide;N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 142177144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).