2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide

C14H23N3O2 — CID 106015146

IUPAC2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCCOC(C)C)ccn1
InChIInChI=1S/C14H23N3O2/c1-11(2)19-9-5-4-7-17-14(18)12-6-8-16-13(10-12)15-3/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJGBPKUYDSZRZSP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds8

About 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide

2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (PubChem CID 106015146) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
PubChem CID106015146
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCCOC(C)C)ccn1
InChIInChI=1S/C14H23N3O2/c1-11(2)19-9-5-4-7-17-14(18)12-6-8-16-13(10-12)15-3/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJGBPKUYDSZRZSP-UHFFFAOYSA-N
XLogP2.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
2-hydrazinyl-N-(5-methylhexyl)pyridine-4-carboxamide
CID 115327351
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
2-hydrazinyl-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818117
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (CID 106015146) is 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCCCCOC(C)C)ccn1.
What is the InChIKey of 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The InChIKey is JGBPKUYDSZRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)19-9-5-4-7-17-14(18)12-6-8-16-13(10-12)15-3/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106015146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).