(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide

C19H23N5O — CID 162352566

IUPAC(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide
SMILESCN1CCN(c2ccc(Nc3cnccc3/C=C/C(N)=O)cc2)CC1
InChIInChI=1S/C19H23N5O/c1-23-10-12-24(13-11-23)17-5-3-16(4-6-17)22-18-14-21-9-8-15(18)2-7-19(20)25/h2-9,14,22H,10-13H2,1H3,(H2,20,25)/b7-2+
InChIKeyIPPQCUZLXVJJMR-FARCUNLSSA-N
MW337.43 g/mol
LogP2.08
Rot. Bonds5

About (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide

(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide (PubChem CID 162352566) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide
PubChem CID162352566
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide
SMILESCN1CCN(c2ccc(Nc3cnccc3/C=C/C(N)=O)cc2)CC1
InChIInChI=1S/C19H23N5O/c1-23-10-12-24(13-11-23)17-5-3-16(4-6-17)22-18-14-21-9-8-15(18)2-7-19(20)25/h2-9,14,22H,10-13H2,1H3,(H2,20,25)/b7-2+
InChIKeyIPPQCUZLXVJJMR-FARCUNLSSA-N
XLogP2.08
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.08
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(methylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]but-3-en-2-one
CID 90456817
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
N-[3-[2-[3-(4-iodopiperazin-1-yl)anilino]-5-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 154987292
2-N,2-N-dimethyl-3-[4-(4-methylpiperazin-1-yl)anilino]quinoline-2,6-dicarboxamide
CID 175783724
methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
CID 169479706

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide (CID 162352566) is (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide is CN1CCN(c2ccc(Nc3cnccc3/C=C/C(N)=O)cc2)CC1.
What is the InChIKey of (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide?
The InChIKey is IPPQCUZLXVJJMR-FARCUNLSSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23-10-12-24(13-11-23)17-5-3-16(4-6-17)22-18-14-21-9-8-15(18)2-7-19(20)25/h2-9,14,22H,10-13H2,1H3,(H2,20,25)/b7-2+.
What are the key properties of (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide?
(E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide has a molecular weight of 337.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 162352566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).