N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide

C14H23N3O — CID 81240356

IUPACN-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
SMILESCCCCCC(C)NC(=O)c1cnccc1NC
InChIInChI=1S/C14H23N3O/c1-4-5-6-7-11(2)17-14(18)12-10-16-9-8-13(12)15-3/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZGSLJMSQWVUYQY-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds7

About N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide

N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81240356) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81240356
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
SMILESCCCCCC(C)NC(=O)c1cnccc1NC
InChIInChI=1S/C14H23N3O/c1-4-5-6-7-11(2)17-14(18)12-10-16-9-8-13(12)15-3/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyZGSLJMSQWVUYQY-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.82
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-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
N-[4-(dimethylamino)butan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 81239916
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
4-hydrazinyl-N-octan-4-ylpyridine-3-carboxamide
CID 114138357
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
4-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 81236752
4-(methylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 81236792
N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 106027974

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide (CID 81240356) is N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide is CCCCCC(C)NC(=O)c1cnccc1NC.
What is the InChIKey of N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is ZGSLJMSQWVUYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-6-7-11(2)17-14(18)12-10-16-9-8-13(12)15-3/h8-11H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide?
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81240356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).