N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide

C20H23N5O3 — CID 109104739

IUPACN-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C20H23N5O3/c1-23(2)18-5-3-17(4-6-18)22-19(27)15-11-16(13-21-12-15)20(28)25-9-7-24(14-26)8-10-25/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)
InChIKeyCZQZEBQMAOZBDS-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.31
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104739) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104739
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cncc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C20H23N5O3/c1-23(2)18-5-3-17(4-6-18)22-19(27)15-11-16(13-21-12-15)20(28)25-9-7-24(14-26)8-10-25/h3-6,11-14H,7-10H2,1-2H3,(H,22,27)
InChIKeyCZQZEBQMAOZBDS-UHFFFAOYSA-N
XLogP1.31
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109104691
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
CID 109101150
1-[4-[5-[4-(dimethylamino)anilino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231128
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104739) is N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cncc(C(=O)N3CCN(C=O)CC3)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is CZQZEBQMAOZBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-23(2)18-5-3-17(4-6-18)22-19(27)15-11-16(13-21-12-15)20(28)25-9-7-24(14-26)8-10-25/h3-6,11-14H,7-10H2,1-2H3,(H,22,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).