5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide

C19H24N4O2 — CID 109195775

IUPAC5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C19H24N4O2/c1-3-4-5-11-20-19(25)18-10-9-17(13-21-18)23-16-8-6-7-15(12-16)22-14(2)24/h6-10,12-13,23H,3-5,11H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyZMKRMRJJUKJFFR-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.70
Rot. Bonds8

About 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide

5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109195775) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109195775
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C19H24N4O2/c1-3-4-5-11-20-19(25)18-10-9-17(13-21-18)23-16-8-6-7-15(12-16)22-14(2)24/h6-10,12-13,23H,3-5,11H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyZMKRMRJJUKJFFR-UHFFFAOYSA-N
XLogP3.70
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.70
H-Bond Donors ≤ 53
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-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
5-(3-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109199969
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide (CID 109195775) is 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1ccc(Nc2cccc(NC(C)=O)c2)cn1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is ZMKRMRJJUKJFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-4-5-11-20-19(25)18-10-9-17(13-21-18)23-16-8-6-7-15(12-16)22-14(2)24/h6-10,12-13,23H,3-5,11H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide?
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).