N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide

C18H21N3O2 — CID 43019906

IUPACN-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccncc1
InChIInChI=1S/C18H21N3O2/c22-18(16-6-8-19-9-7-16)20-12-17-14-21(10-11-23-17)13-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,20,22)
InChIKeyAUYHITJUEOSZHB-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.71
Rot. Bonds5

About N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 43019906) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
PubChem CID43019906
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccncc1
InChIInChI=1S/C18H21N3O2/c22-18(16-6-8-19-9-7-16)20-12-17-14-21(10-11-23-17)13-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,20,22)
InChIKeyAUYHITJUEOSZHB-UHFFFAOYSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 124742373
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide (CID 43019906) is N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)c1ccncc1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is AUYHITJUEOSZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(16-6-8-19-9-7-16)20-12-17-14-21(10-11-23-17)13-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,20,22).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 43019906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).