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

C22H23N5O2 — CID 109245894

IUPAC5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(28)24-17-4-6-18(7-5-17)25-20-12-16(13-23-14-20)22(29)26-19-8-10-21(11-9-19)27(2)3/h4-14,25H,1-3H3,(H,24,28)(H,26,29)
InChIKeyJVKZYXJKVIRXPZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.10
Rot. Bonds6

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

5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (PubChem CID 109245894) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
PubChem CID109245894
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(28)24-17-4-6-18(7-5-17)25-20-12-16(13-23-14-20)22(29)26-19-8-10-21(11-9-19)27(2)3/h4-14,25H,1-3H3,(H,24,28)(H,26,29)
InChIKeyJVKZYXJKVIRXPZ-UHFFFAOYSA-N
XLogP4.10
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245994
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
5-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109226211
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide (CID 109245894) is 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(Nc2cncc(C(=O)Nc3ccc(N(C)C)cc3)c2)cc1.
What is the InChIKey of 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is JVKZYXJKVIRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(28)24-17-4-6-18(7-5-17)25-20-12-16(13-23-14-20)22(29)26-19-8-10-21(11-9-19)27(2)3/h4-14,25H,1-3H3,(H,24,28)(H,26,29).
What are the key properties of 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide?
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109245894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).