4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide

C17H29N3O — CID 107817983

IUPAC4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCCCCCC(C)C
InChIInChI=1S/C17H29N3O/c1-4-19-16-10-12-18-13-15(16)17(21)20-11-8-6-5-7-9-14(2)3/h10,12-14H,4-9,11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWTXJBNXUYIEAOE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.85
Rot. Bonds10

About 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide

4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide (PubChem CID 107817983) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
PubChem CID107817983
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCCCCCC(C)C
InChIInChI=1S/C17H29N3O/c1-4-19-16-10-12-18-13-15(16)17(21)20-11-8-6-5-7-9-14(2)3/h10,12-14H,4-9,11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyWTXJBNXUYIEAOE-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
4-(ethylamino)-6-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115327297
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-3-carboxamide
CID 81242327

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide (CID 107817983) is 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCCCCCC(C)C.
What is the InChIKey of 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide?
The InChIKey is WTXJBNXUYIEAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-19-16-10-12-18-13-15(16)17(21)20-11-8-6-5-7-9-14(2)3/h10,12-14H,4-9,11H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide?
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide is sourced from PubChem (CID 107817983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).