N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide

C16H19N3O2 — CID 109152863

IUPACN-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-21-10-9-17-15-8-7-14(12-18-15)16(20)19-11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyZUVFXZRUFKKOSG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds7

About N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide

N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide (PubChem CID 109152863) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
PubChem CID109152863
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-21-10-9-17-15-8-7-14(12-18-15)16(20)19-11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyZUVFXZRUFKKOSG-UHFFFAOYSA-N
XLogP2.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide (CID 109152863) is N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide is COCCNc1ccc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide?
The InChIKey is ZUVFXZRUFKKOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-10-9-17-15-8-7-14(12-18-15)16(20)19-11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide?
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109152863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).