N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide

C18H22N4O3 — CID 119893191

IUPACN-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
SMILESCNCC(C)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1
InChIInChI=1S/C18H22N4O3/c1-12(11-19-2)17(23)22-14-6-4-5-7-16(14)25-13-8-9-21-15(10-13)18(24)20-3/h4-10,12,19H,11H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyKDNHLWVHFKXPJN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.03
Rot. Bonds7

About N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide (PubChem CID 119893191) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
PubChem CID119893191
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
SMILESCNCC(C)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1
InChIInChI=1S/C18H22N4O3/c1-12(11-19-2)17(23)22-14-6-4-5-7-16(14)25-13-8-9-21-15(10-13)18(24)20-3/h4-10,12,19H,11H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyKDNHLWVHFKXPJN-UHFFFAOYSA-N
XLogP2.03
TPSA92.35 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 ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 120597201
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 166412297
1-[[2-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122086211
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 143083791
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 171481580
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide (CID 119893191) is N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide is CNCC(C)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1.
What is the InChIKey of N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide?
The InChIKey is KDNHLWVHFKXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(11-19-2)17(23)22-14-6-4-5-7-16(14)25-13-8-9-21-15(10-13)18(24)20-3/h4-10,12,19H,11H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 119893191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).