4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

C20H24N4O3 — CID 119893223

IUPAC4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)C3CCC(N)C3)ccc2C)ccn1
InChIInChI=1S/C20H24N4O3/c1-12-3-6-15(24-19(25)13-4-5-14(21)9-13)10-18(12)27-16-7-8-23-17(11-16)20(26)22-2/h3,6-8,10-11,13-14H,4-5,9,21H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQAYRYTUZVLLWMG-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.61
Rot. Bonds5

About 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide

4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 119893223) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
PubChem CID119893223
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)C3CCC(N)C3)ccc2C)ccn1
InChIInChI=1S/C20H24N4O3/c1-12-3-6-15(24-19(25)13-4-5-14(21)9-13)10-18(12)27-16-7-8-23-17(11-16)20(26)22-2/h3,6-8,10-11,13-14H,4-5,9,21H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyQAYRYTUZVLLWMG-UHFFFAOYSA-N
XLogP2.61
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide (CID 119893223) is 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc(NC(=O)C3CCC(N)C3)ccc2C)ccn1.
What is the InChIKey of 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is QAYRYTUZVLLWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-3-6-15(24-19(25)13-4-5-14(21)9-13)10-18(12)27-16-7-8-23-17(11-16)20(26)22-2/h3,6-8,10-11,13-14H,4-5,9,21H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide?
4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 119893223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).