4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride

C14H16ClN3O2 — CID 66746840

IUPAC4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(Oc2ccc(N)c(C)c2)ccn1.Cl
InChIInChI=1S/C14H15N3O2.ClH/c1-9-7-10(3-4-12(9)15)19-11-5-6-17-13(8-11)14(18)16-2;/h3-8H,15H2,1-2H3,(H,16,18);1H
InChIKeyDVNNWVBZZRYVTB-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.55
Rot. Bonds3

About 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride

4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride (PubChem CID 66746840) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
PubChem CID66746840
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(Oc2ccc(N)c(C)c2)ccn1.Cl
InChIInChI=1S/C14H15N3O2.ClH/c1-9-7-10(3-4-12(9)15)19-11-5-6-17-13(8-11)14(18)16-2;/h3-8H,15H2,1-2H3,(H,16,18);1H
InChIKeyDVNNWVBZZRYVTB-UHFFFAOYSA-N
XLogP2.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-amino-3-chlorophenol;4-(4-amino-3-chlorophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methane
CID 159234569
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[(6-amino-5-ethyl-3-pyridinyl)oxy]-N-methylpyridine-2-carboxamide
CID 169032834

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride (CID 66746840) is 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride is CNC(=O)c1cc(Oc2ccc(N)c(C)c2)ccn1.Cl.
What is the InChIKey of 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride?
The InChIKey is DVNNWVBZZRYVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2.ClH/c1-9-7-10(3-4-12(9)15)19-11-5-6-17-13(8-11)14(18)16-2;/h3-8H,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride?
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66746840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).