N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide

C19H26N4O — CID 109239969

IUPACN-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O/c1-14(2)9-10-21-17-11-15(12-20-13-17)19(24)22-16-5-7-18(8-6-16)23(3)4/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,24)
InChIKeyYXCFOTGJKWQZDB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.86
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109239969) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109239969
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H26N4O/c1-14(2)9-10-21-17-11-15(12-20-13-17)19(24)22-16-5-7-18(8-6-16)23(3)4/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,24)
InChIKeyYXCFOTGJKWQZDB-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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

N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
N-[4-(dimethylamino)phenyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229697
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109239926
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081
N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234351

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide (CID 109239969) is N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide is CC(C)CCNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is YXCFOTGJKWQZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)9-10-21-17-11-15(12-20-13-17)19(24)22-16-5-7-18(8-6-16)23(3)4/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).