N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride

C16H21Cl2N3O2 — CID 119583757

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(Oc2ccccc2)ccn1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12(11-17)19(2)16(20)15-10-14(8-9-18-15)21-13-6-4-3-5-7-13;;/h3-10,12H,11,17H2,1-2H3;2*1H
InChIKeyNMHKKANKHPQUCZ-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.14
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride

N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride (PubChem CID 119583757) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
PubChem CID119583757
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(Oc2ccccc2)ccn1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12(11-17)19(2)16(20)15-10-14(8-9-18-15)21-13-6-4-3-5-7-13;;/h3-10,12H,11,17H2,1-2H3;2*1H
InChIKeyNMHKKANKHPQUCZ-UHFFFAOYSA-N
XLogP3.14
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119659833
N-(1-aminopropan-2-yl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119581651
3-[2-methylpropyl-(4-phenoxypyridine-2-carbonyl)amino]propanoic acid
CID 120516393
N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119582328
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865
N-methyl-4-phenoxy-N-piperidin-4-ylpyridine-2-carboxamide
CID 119443292
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-phenoxypyridine-2-carboxamide
CID 109399798
4-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 43326028
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N,N-diethyl-4-(3-hydroxyphenoxy)pyridine-2-carboxamide
CID 60871058
N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
CID 119582860
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride (CID 119583757) is N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride is CC(CN)N(C)C(=O)c1cc(Oc2ccccc2)ccn1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
The InChIKey is NMHKKANKHPQUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-12(11-17)19(2)16(20)15-10-14(8-9-18-15)21-13-6-4-3-5-7-13;;/h3-10,12H,11,17H2,1-2H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119583757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).