4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride

C17H22ClN3O2 — CID 126805410

IUPAC4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)c2cnccc2N)cc1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-20(17(21)15-12-19-10-9-16(15)18)11-3-4-13-5-7-14(22-2)8-6-13;/h5-10,12H,3-4,11H2,1-2H3,(H2,18,19);1H
InChIKeyOWSDIZWYDUDAAA-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.80
Rot. Bonds6

About 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride

4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride (PubChem CID 126805410) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
PubChem CID126805410
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)c2cnccc2N)cc1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-20(17(21)15-12-19-10-9-16(15)18)11-3-4-13-5-7-14(22-2)8-6-13;/h5-10,12H,3-4,11H2,1-2H3,(H2,18,19);1H
InChIKeyOWSDIZWYDUDAAA-UHFFFAOYSA-N
XLogP2.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
1-[3-(4-methoxyphenyl)propyl]-1-methyl-3-(4-pyridin-3-yloxyphenyl)urea
CID 166209637
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119739239
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride (CID 126805410) is 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride is COc1ccc(CCCN(C)C(=O)c2cnccc2N)cc1.Cl.
What is the InChIKey of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride?
The InChIKey is OWSDIZWYDUDAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-20(17(21)15-12-19-10-9-16(15)18)11-3-4-13-5-7-14(22-2)8-6-13;/h5-10,12H,3-4,11H2,1-2H3,(H2,18,19);1H.
What are the key properties of 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride?
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 126805410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).