2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide

C19H26N4O — CID 109175218

IUPAC2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O/c1-14(2)9-11-21-19(24)15-10-12-20-18(13-15)22-16-5-7-17(8-6-16)23(3)4/h5-8,10,12-14H,9,11H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyIUQCCKJAOKOGTM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.67
Rot. Bonds7

About 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide

2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 109175218) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID109175218
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O/c1-14(2)9-11-21-19(24)15-10-12-20-18(13-15)22-16-5-7-17(8-6-16)23(3)4/h5-8,10,12-14H,9,11H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyIUQCCKJAOKOGTM-UHFFFAOYSA-N
XLogP3.67
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354367
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165702
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109171410
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide (CID 109175218) is 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide is CC(C)CCNC(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is IUQCCKJAOKOGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)9-11-21-19(24)15-10-12-20-18(13-15)22-16-5-7-17(8-6-16)23(3)4/h5-8,10,12-14H,9,11H2,1-4H3,(H,20,22)(H,21,24).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide?
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).