N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide

C14H23N3O2 — CID 109225122

IUPACN-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NCCCOC)c1
InChIInChI=1S/C14H23N3O2/c1-4-11(2)17-14(18)12-8-13(10-15-9-12)16-6-5-7-19-3/h8-11,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyVKZYQHNJUFBZBO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds8

About N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide

N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide (PubChem CID 109225122) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
PubChem CID109225122
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NCCCOC)c1
InChIInChI=1S/C14H23N3O2/c1-4-11(2)17-14(18)12-8-13(10-15-9-12)16-6-5-7-19-3/h8-11,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyVKZYQHNJUFBZBO-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

5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide (CID 109225122) is N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(NCCCOC)c1.
What is the InChIKey of N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide?
The InChIKey is VKZYQHNJUFBZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11(2)17-14(18)12-8-13(10-15-9-12)16-6-5-7-19-3/h8-11,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide?
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-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 N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109225122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).