3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid

C19H23N3O3 — CID 122030335

IUPAC3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
SMILESCC1CN(c2ccc(CNCc3cccc(C(=O)O)c3)cn2)CCO1
InChIInChI=1S/C19H23N3O3/c1-14-13-22(7-8-25-14)18-6-5-16(12-21-18)11-20-10-15-3-2-4-17(9-15)19(23)24/h2-6,9,12,14,20H,7-8,10-11,13H2,1H3,(H,23,24)
InChIKeyJHSILQCWYKSDDK-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.29
Rot. Bonds6

About 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid

3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid (PubChem CID 122030335) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
PubChem CID122030335
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid
SMILESCC1CN(c2ccc(CNCc3cccc(C(=O)O)c3)cn2)CCO1
InChIInChI=1S/C19H23N3O3/c1-14-13-22(7-8-25-14)18-6-5-16(12-21-18)11-20-10-15-3-2-4-17(9-15)19(23)24/h2-6,9,12,14,20H,7-8,10-11,13H2,1H3,(H,23,24)
InChIKeyJHSILQCWYKSDDK-UHFFFAOYSA-N
XLogP2.29
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]methanamine
CID 94531051
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682
1-[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]methanamine
CID 48947967
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol
CID 95313017
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55713870
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55746766
7-bromo-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55714096
1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 94030778

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid?
The IUPAC name of 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid (CID 122030335) is 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid?
The canonical SMILES for 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid is CC1CN(c2ccc(CNCc3cccc(C(=O)O)c3)cn2)CCO1.
What is the InChIKey of 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid?
The InChIKey is JHSILQCWYKSDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-13-22(7-8-25-14)18-6-5-16(12-21-18)11-20-10-15-3-2-4-17(9-15)19(23)24/h2-6,9,12,14,20H,7-8,10-11,13H2,1H3,(H,23,24).
What are the key properties of 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid?
3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methylamino]methyl]benzoic acid is sourced from PubChem (CID 122030335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).