6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid

C18H22N4O3 — CID 122053041

IUPAC6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid
SMILESCC1CN(c2ccc(CNc3cccc(C(=O)O)n3)cn2)CC(C)O1
InChIInChI=1S/C18H22N4O3/c1-12-10-22(11-13(2)25-12)17-7-6-14(9-20-17)8-19-16-5-3-4-15(21-16)18(23)24/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyNNENIAUUGOPEOT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.40
Rot. Bonds5

About 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid

6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122053041) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122053041
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid
SMILESCC1CN(c2ccc(CNc3cccc(C(=O)O)n3)cn2)CC(C)O1
InChIInChI=1S/C18H22N4O3/c1-12-10-22(11-13(2)25-12)17-7-6-14(9-20-17)8-19-16-5-3-4-15(21-16)18(23)24/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyNNENIAUUGOPEOT-UHFFFAOYSA-N
XLogP2.40
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
3-[[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]methyl]phenol
CID 95313017
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55777031
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
4-acetyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]benzonitrile
CID 133456205

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid (CID 122053041) is 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid is CC1CN(c2ccc(CNc3cccc(C(=O)O)n3)cn2)CC(C)O1.
What is the InChIKey of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is NNENIAUUGOPEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-10-22(11-13(2)25-12)17-7-6-14(9-20-17)8-19-16-5-3-4-15(21-16)18(23)24/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid?
6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).