N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

C19H23N5O2 — CID 109208975

IUPACN-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C19H23N5O2/c1-22(2)16-5-3-15(4-6-16)21-19(26)18-13-17(7-8-20-18)24-11-9-23(14-25)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,21,26)
InChIKeyWCPPEUFKQLUUEJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.68
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208975) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208975
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C19H23N5O2/c1-22(2)16-5-3-15(4-6-16)21-19(26)18-13-17(7-8-20-18)24-11-9-23(14-25)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,21,26)
InChIKeyWCPPEUFKQLUUEJ-UHFFFAOYSA-N
XLogP1.68
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.68
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
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
N-[4-(dimethylamino)phenyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302794
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208824

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208975) is N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(N3CCN(C=O)CC3)ccn2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is WCPPEUFKQLUUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-22(2)16-5-3-15(4-6-16)21-19(26)18-13-17(7-8-20-18)24-11-9-23(14-25)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,21,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.68, 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]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).