5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide

C19H20N4O3 — CID 109104691

IUPAC5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(C(=O)N2CCN(C=O)CC2)c1)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-21(17-5-3-2-4-6-17)18(25)15-11-16(13-20-12-15)19(26)23-9-7-22(14-24)8-10-23/h2-6,11-14H,7-10H2,1H3
InChIKeyCWHQNTLWAADHAS-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.27
Rot. Bonds4

About 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide

5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 109104691) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID109104691
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(C(=O)N2CCN(C=O)CC2)c1)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-21(17-5-3-2-4-6-17)18(25)15-11-16(13-20-12-15)19(26)23-9-7-22(14-24)8-10-23/h2-6,11-14H,7-10H2,1H3
InChIKeyCWHQNTLWAADHAS-UHFFFAOYSA-N
XLogP1.27
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-(4-formylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104739
4-[5-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230766
5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
CID 109101150
5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109241324
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
4-[5-(4-bromoanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230813
4-[5-(4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230801
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
3-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076055
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide (CID 109104691) is 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cncc(C(=O)N2CCN(C=O)CC2)c1)c1ccccc1.
What is the InChIKey of 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is CWHQNTLWAADHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-21(17-5-3-2-4-6-17)18(25)15-11-16(13-20-12-15)19(26)23-9-7-22(14-24)8-10-23/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide?
5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazine-1-carbonyl)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109104691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).