N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide

C17H22N4O2 — CID 109227960

IUPACN-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H22N4O2/c1-21(2)16-6-4-14(5-7-16)20-17(22)13-10-15(12-18-11-13)19-8-9-23-3/h4-7,10-12,19H,8-9H2,1-3H3,(H,20,22)
InChIKeyYOZHCCLSFADIQG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide (PubChem CID 109227960) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
PubChem CID109227960
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
SMILESCOCCNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H22N4O2/c1-21(2)16-6-4-14(5-7-16)20-17(22)13-10-15(12-18-11-13)19-8-9-23-3/h4-7,10-12,19H,8-9H2,1-3H3,(H,20,22)
InChIKeyYOZHCCLSFADIQG-UHFFFAOYSA-N
XLogP2.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-[4-(dimethylamino)phenyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236392
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234351
N-[4-(dimethylamino)phenyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229697
N-[4-(dimethylamino)phenyl]-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166952
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide (CID 109227960) is N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide is COCCNc1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide?
The InChIKey is YOZHCCLSFADIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)16-6-4-14(5-7-16)20-17(22)13-10-15(12-18-11-13)19-8-9-23-3/h4-7,10-12,19H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109227960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).