4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid

C18H21N3O3 — CID 122032550

IUPAC4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid
SMILESCc1nc(N2CCOCC2)ccc1NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H21N3O3/c1-13-16(6-7-17(20-13)21-8-10-24-11-9-21)19-12-14-2-4-15(5-3-14)18(22)23/h2-7,19H,8-12H2,1H3,(H,22,23)
InChIKeyRQOOUHBJEKDAPH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.54
Rot. Bonds5

About 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid

4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid (PubChem CID 122032550) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid
PubChem CID122032550
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid
SMILESCc1nc(N2CCOCC2)ccc1NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H21N3O3/c1-13-16(6-7-17(20-13)21-8-10-24-11-9-21)19-12-14-2-4-15(5-3-14)18(22)23/h2-7,19H,8-12H2,1H3,(H,22,23)
InChIKeyRQOOUHBJEKDAPH-UHFFFAOYSA-N
XLogP2.54
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 122048301
1-(difluoromethyl)-3-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]pyridin-2-one
CID 154742040
(2-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102546248
4-[(4-carboxyphenyl)methylamino]-3-methylbenzoic acid
CID 65348016
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
CID 128977896
1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 146128859
6-cyclohexyl-1-[4-[[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]hexan-1-one
CID 162234128
N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99636315
N-(2-amino-6-morpholin-4-yl-3-pyridinyl)propanamide
CID 110178379
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid (CID 122032550) is 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid is Cc1nc(N2CCOCC2)ccc1NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid?
The InChIKey is RQOOUHBJEKDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-16(6-7-17(20-13)21-8-10-24-11-9-21)19-12-14-2-4-15(5-3-14)18(22)23/h2-7,19H,8-12H2,1H3,(H,22,23).
What are the key properties of 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid?
4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid is sourced from PubChem (CID 122032550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).