N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide

C19H22N4O3 — CID 119893257

IUPACN-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)C3CCNC3)ccc2C)ccn1
InChIInChI=1S/C19H22N4O3/c1-12-3-4-14(23-18(24)13-5-7-21-11-13)9-17(12)26-15-6-8-22-16(10-15)19(25)20-2/h3-4,6,8-10,13,21H,5,7,11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyRQZLBNMHAWSZCF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide

N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide (PubChem CID 119893257) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
PubChem CID119893257
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)C3CCNC3)ccc2C)ccn1
InChIInChI=1S/C19H22N4O3/c1-12-3-4-14(23-18(24)13-5-7-21-11-13)9-17(12)26-15-6-8-22-16(10-15)19(25)20-2/h3-4,6,8-10,13,21H,5,7,11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyRQZLBNMHAWSZCF-UHFFFAOYSA-N
XLogP2.09
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893223
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893225
N-methyl-4-[5-methyl-2-(piperidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
CID 119893265
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893224
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-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]piperidine-3-carboxamide
CID 119891511
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide (CID 119893257) is N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc(NC(=O)C3CCNC3)ccc2C)ccn1.
What is the InChIKey of N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide?
The InChIKey is RQZLBNMHAWSZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-3-4-14(23-18(24)13-5-7-21-11-13)9-17(12)26-15-6-8-22-16(10-15)19(25)20-2/h3-4,6,8-10,13,21H,5,7,11H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide?
N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 119893257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).