N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide

C19H25N3O — CID 109161304

IUPACN-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C19H25N3O/c1-4-5-6-9-20-18-8-7-16(13-21-18)19(23)22-17-11-14(2)10-15(3)12-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyZGGSWCPLPWOLRP-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.55
Rot. Bonds7

About N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide

N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide (PubChem CID 109161304) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
PubChem CID109161304
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C19H25N3O/c1-4-5-6-9-20-18-8-7-16(13-21-18)19(23)22-17-11-14(2)10-15(3)12-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyZGGSWCPLPWOLRP-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.55
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-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide (CID 109161304) is N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)Nc2cc(C)cc(C)c2)cn1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
The InChIKey is ZGGSWCPLPWOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-5-6-9-20-18-8-7-16(13-21-18)19(23)22-17-11-14(2)10-15(3)12-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109161304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).