N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride

C20H26Cl2N4O3 — CID 119893208

IUPACN-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)[C@H]3CCCCN3)ccc2C)ccn1.Cl.Cl
InChIInChI=1S/C20H24N4O3.2ClH/c1-13-6-7-14(24-20(26)16-5-3-4-9-22-16)11-18(13)27-15-8-10-23-17(12-15)19(25)21-2;;/h6-8,10-12,16,22H,3-5,9H2,1-2H3,(H,21,25)(H,24,26);2*1H/t16-;;/m1../s1
InChIKeyISDGEPSDQVBIQD-GGMCWBHBSA-N
MW441.36 g/mol
LogP3.47
Rot. Bonds5

About N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride

N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119893208) has the molecular formula C20H26Cl2N4O3 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
PubChem CID119893208
Molecular FormulaC20H26Cl2N4O3
Molecular Weight441.36 g/mol
Exact Mass440.14
IUPAC NameN-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)[C@H]3CCCCN3)ccc2C)ccn1.Cl.Cl
InChIInChI=1S/C20H24N4O3.2ClH/c1-13-6-7-14(24-20(26)16-5-3-4-9-22-16)11-18(13)27-15-8-10-23-17(12-15)19(25)21-2;;/h6-8,10-12,16,22H,3-5,9H2,1-2H3,(H,21,25)(H,24,26);2*1H/t16-;;/m1../s1
InChIKeyISDGEPSDQVBIQD-GGMCWBHBSA-N
XLogP3.47
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.47
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;dihydrochloride
CID 119893224
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893225
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide
CID 119340018
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride (CID 119893208) is N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride is CNC(=O)c1cc(Oc2cc(NC(=O)[C@H]3CCCCN3)ccc2C)ccn1.Cl.Cl.
What is the InChIKey of N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is ISDGEPSDQVBIQD-GGMCWBHBSA-N. The full InChI is InChI=1S/C20H24N4O3.2ClH/c1-13-6-7-14(24-20(26)16-5-3-4-9-22-16)11-18(13)27-15-8-10-23-17(12-15)19(25)21-2;;/h6-8,10-12,16,22H,3-5,9H2,1-2H3,(H,21,25)(H,24,26);2*1H/t16-;;/m1../s1.
What are the key properties of N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride?
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 441.36 g/mol, XLogP of 3.47, 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-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119893208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).