6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide

C17H27N3O4 — CID 142043508

IUPAC6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide
SMILESCCC(C)OCCCNC(=O)c1cccc(C(=O)NCCCO)n1
InChIInChI=1S/C17H27N3O4/c1-3-13(2)24-12-6-10-19-17(23)15-8-4-7-14(20-15)16(22)18-9-5-11-21/h4,7-8,13,21H,3,5-6,9-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCCGJHMVOIKHKCC-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.13
Rot. Bonds11

About 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide

6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide (PubChem CID 142043508) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide
PubChem CID142043508
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide
SMILESCCC(C)OCCCNC(=O)c1cccc(C(=O)NCCCO)n1
InChIInChI=1S/C17H27N3O4/c1-3-13(2)24-12-6-10-19-17(23)15-8-4-7-14(20-15)16(22)18-9-5-11-21/h4,7-8,13,21H,3,5-6,9-12H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyCCGJHMVOIKHKCC-UHFFFAOYSA-N
XLogP1.13
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
2-N,6-N-bis[3-(2-octyldodecoxy)propyl]pyridine-2,6-dicarboxamide
CID 46200144
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
2-N-[3-(2-methyldodecoxy)propyl]-6-N-[3-(2-octyldodecoxy)propyl]pyridine-2,6-dicarboxamide
CID 59523006
6-N-butan-2-yl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,6-dicarboxamide
CID 109094634
6-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62238827
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
CID 13417375

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide (CID 142043508) is 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide is CCC(C)OCCCNC(=O)c1cccc(C(=O)NCCCO)n1.
What is the InChIKey of 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide?
The InChIKey is CCGJHMVOIKHKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-3-13(2)24-12-6-10-19-17(23)15-8-4-7-14(20-15)16(22)18-9-5-11-21/h4,7-8,13,21H,3,5-6,9-12H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide?
6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.13, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-butan-2-yloxypropyl)-2-N-(3-hydroxypropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 142043508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).