4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride

C18H23ClN4O2 — CID 153309197

IUPAC4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
SMILESCNC(=O)c1cc(C(=O)NCCCN)cc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-20-18(24)16-12-14(17(23)21-9-5-8-19)11-15(22-16)10-13-6-3-2-4-7-13;/h2-4,6-7,11-12H,5,8-10,19H2,1H3,(H,20,24)(H,21,23);1H
InChIKeyNLTNHXMJWRMSHK-UHFFFAOYSA-N
MW362.86 g/mol
LogP1.53
Rot. Bonds7

About 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride

4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride (PubChem CID 153309197) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
PubChem CID153309197
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
SMILESCNC(=O)c1cc(C(=O)NCCCN)cc(Cc2ccccc2)n1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-20-18(24)16-12-14(17(23)21-9-5-8-19)11-15(22-16)10-13-6-3-2-4-7-13;/h2-4,6-7,11-12H,5,8-10,19H2,1H3,(H,20,24)(H,21,23);1H
InChIKeyNLTNHXMJWRMSHK-UHFFFAOYSA-N
XLogP1.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131988964
2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988908
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
CID 131997421
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
2-(methylcarbamoyl)-6-[(1-phenylmethoxycarbonylindol-4-yl)methyl]pyridine-4-carboxylic acid
CID 139295934
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
6-chloro-4-N-[3-(1,3-dioxan-2-yl)propyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131997279
N-(12-aminododecyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 25210199

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride (CID 153309197) is 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride is CNC(=O)c1cc(C(=O)NCCCN)cc(Cc2ccccc2)n1.Cl.
What is the InChIKey of 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride?
The InChIKey is NLTNHXMJWRMSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-20-18(24)16-12-14(17(23)21-9-5-8-19)11-15(22-16)10-13-6-3-2-4-7-13;/h2-4,6-7,11-12H,5,8-10,19H2,1H3,(H,20,24)(H,21,23);1H.
What are the key properties of 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride?
4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 153309197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).