N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

C18H23N3O2 — CID 109153277

IUPACN-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-17-10-9-16(13-20-17)18(22)19-11-6-12-23-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUYVATHDZEOHRHW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.02
Rot. Bonds8

About N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109153277) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109153277
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-17-10-9-16(13-20-17)18(22)19-11-6-12-23-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUYVATHDZEOHRHW-UHFFFAOYSA-N
XLogP3.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.02
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-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (CID 109153277) is N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(NC(C)c2ccccc2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is UYVATHDZEOHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-17-10-9-16(13-20-17)18(22)19-11-6-12-23-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).