4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide

C18H22N4O3 — CID 119893255

IUPAC4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)CCCN)ccc2C)ccn1
InChIInChI=1S/C18H22N4O3/c1-12-5-6-13(22-17(23)4-3-8-19)10-16(12)25-14-7-9-21-15(11-14)18(24)20-2/h5-7,9-11H,3-4,8,19H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyAUMFQVGQPIUEMK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.22
Rot. Bonds7

About 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide

4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 119893255) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
PubChem CID119893255
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)CCCN)ccc2C)ccn1
InChIInChI=1S/C18H22N4O3/c1-12-5-6-13(22-17(23)4-3-8-19)10-16(12)25-14-7-9-21-15(11-14)18(24)20-2/h5-7,9-11H,3-4,8,19H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyAUMFQVGQPIUEMK-UHFFFAOYSA-N
XLogP2.22
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 166405357
4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893223
N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
CID 119893257
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893225
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893224
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide (CID 119893255) is 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc(NC(=O)CCCN)ccc2C)ccn1.
What is the InChIKey of 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is AUMFQVGQPIUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-5-6-13(22-17(23)4-3-8-19)10-16(12)25-14-7-9-21-15(11-14)18(24)20-2/h5-7,9-11H,3-4,8,19H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 119893255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).