3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide

C15H25N3O — CID 105069105

IUPAC3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
SMILESCCCCCCC(C)NC(=O)c1ccncc1NC
InChIInChI=1S/C15H25N3O/c1-4-5-6-7-8-12(2)18-15(19)13-9-10-17-11-14(13)16-3/h9-12,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyOGTJWGLXNYDTFJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds8

About 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide

3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide (PubChem CID 105069105) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
PubChem CID105069105
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
SMILESCCCCCCC(C)NC(=O)c1ccncc1NC
InChIInChI=1S/C15H25N3O/c1-4-5-6-7-8-12(2)18-15(19)13-9-10-17-11-14(13)16-3/h9-12,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyOGTJWGLXNYDTFJ-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
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

N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457
3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070761
N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
CID 61478998
N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 81239916
N-(dicyclopropylmethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069656

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide (CID 105069105) is 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide is CCCCCCC(C)NC(=O)c1ccncc1NC.
What is the InChIKey of 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide?
The InChIKey is OGTJWGLXNYDTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-6-7-8-12(2)18-15(19)13-9-10-17-11-14(13)16-3/h9-12,16H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide?
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105069105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).