2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid

C19H18N6O4 — CID 175412831

IUPAC2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(-c3cccc(NC(=O)N4CCOCC4)c3)nn2)c1
InChIInChI=1S/C19H18N6O4/c26-18(27)13-4-5-20-16(10-13)17-12-25(23-22-17)15-3-1-2-14(11-15)21-19(28)24-6-8-29-9-7-24/h1-5,10-12H,6-9H2,(H,21,28)(H,26,27)
InChIKeyYXYLODRHBFKRFL-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.89
Rot. Bonds4

About 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid

2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 175412831) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid
PubChem CID175412831
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(-c3cccc(NC(=O)N4CCOCC4)c3)nn2)c1
InChIInChI=1S/C19H18N6O4/c26-18(27)13-4-5-20-16(10-13)17-12-25(23-22-17)15-3-1-2-14(11-15)21-19(28)24-6-8-29-9-7-24/h1-5,10-12H,6-9H2,(H,21,28)(H,26,27)
InChIKeyYXYLODRHBFKRFL-UHFFFAOYSA-N
XLogP1.89
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-methylphenyl)triazol-4-yl]pyridine-4-carboxylic acid
CID 122191456
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
N-(3-formamidophenyl)morpholine-4-carboxamide
CID 168652828
3-[4-(4-bromophenyl)triazol-1-yl]benzoic acid
CID 44621523
5-[4-[6-[1-[3-carboxy-4-(trifluoromethyl)phenyl]triazol-4-yl]-4-(morpholine-4-carbonyl)-2-pyridinyl]triazol-1-yl]-2-methylbenzoic acid
CID 165069850
3-[3-(morpholine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 115277723
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid (CID 175412831) is 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(-c3cccc(NC(=O)N4CCOCC4)c3)nn2)c1.
What is the InChIKey of 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is YXYLODRHBFKRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c26-18(27)13-4-5-20-16(10-13)17-12-25(23-22-17)15-3-1-2-14(11-15)21-19(28)24-6-8-29-9-7-24/h1-5,10-12H,6-9H2,(H,21,28)(H,26,27).
What are the key properties of 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 394.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(morpholine-4-carbonylamino)phenyl]triazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 175412831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).