6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide

C14H23N3O2 — CID 109151550

IUPAC6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCCOC)cn1
InChIInChI=1S/C14H23N3O2/c1-3-4-8-15-13-7-6-12(11-17-13)14(18)16-9-5-10-19-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQGMDNEBVCFNNLQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds9

About 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide

6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109151550) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109151550
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCCOC)cn1
InChIInChI=1S/C14H23N3O2/c1-3-4-8-15-13-7-6-12(11-17-13)14(18)16-9-5-10-19-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQGMDNEBVCFNNLQ-UHFFFAOYSA-N
XLogP2.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.06
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

6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109151550) is 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide is CCCCNc1ccc(C(=O)NCCCOC)cn1.
What is the InChIKey of 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is QGMDNEBVCFNNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-8-15-13-7-6-12(11-17-13)14(18)16-9-5-10-19-2/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).