N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide

C19H21N5O3 — CID 109155045

IUPACN-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)N3CCN(C=O)CC3)cn2)c1
InChIInChI=1S/C19H21N5O3/c1-14(26)21-16-3-2-4-17(11-16)22-18-6-5-15(12-20-18)19(27)24-9-7-23(13-25)8-10-24/h2-6,11-13H,7-10H2,1H3,(H,20,22)(H,21,26)
InChIKeyQYGWXCXCLXORJW-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.70
Rot. Bonds5

About N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide

N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide (PubChem CID 109155045) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
PubChem CID109155045
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)N3CCN(C=O)CC3)cn2)c1
InChIInChI=1S/C19H21N5O3/c1-14(26)21-16-3-2-4-17(11-16)22-18-6-5-15(12-20-18)19(27)24-9-7-23(13-25)8-10-24/h2-6,11-13H,7-10H2,1H3,(H,20,22)(H,21,26)
InChIKeyQYGWXCXCLXORJW-UHFFFAOYSA-N
XLogP1.70
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109161758
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392
N-(3-acetylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046418
4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254388
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
4-[5-(4-acetylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278838
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide (CID 109155045) is N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)N3CCN(C=O)CC3)cn2)c1.
What is the InChIKey of N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
The InChIKey is QYGWXCXCLXORJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-14(26)21-16-3-2-4-17(11-16)22-18-6-5-15(12-20-18)19(27)24-9-7-23(13-25)8-10-24/h2-6,11-13H,7-10H2,1H3,(H,20,22)(H,21,26).
What are the key properties of N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-formylpiperazine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 109155045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).