(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide

C19H18ClN5O3 — CID 144811991

IUPAC(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide
SMILESCc1nnc(-c2ccc(OCCNC(=O)/C=C/c3ccc(N)nc3)c(Cl)c2)o1
InChIInChI=1S/C19H18ClN5O3/c1-12-24-25-19(28-12)14-4-5-16(15(20)10-14)27-9-8-22-18(26)7-3-13-2-6-17(21)23-11-13/h2-7,10-11H,8-9H2,1H3,(H2,21,23)(H,22,26)/b7-3+
InChIKeyJBKISCKLLQFTAP-XVNBXDOJSA-N
MW399.84 g/mol
LogP2.88
Rot. Bonds7

About (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide

(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide (PubChem CID 144811991) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide
PubChem CID144811991
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide
SMILESCc1nnc(-c2ccc(OCCNC(=O)/C=C/c3ccc(N)nc3)c(Cl)c2)o1
InChIInChI=1S/C19H18ClN5O3/c1-12-24-25-19(28-12)14-4-5-16(15(20)10-14)27-9-8-22-18(26)7-3-13-2-6-17(21)23-11-13/h2-7,10-11H,8-9H2,1H3,(H2,21,23)(H,22,26)/b7-3+
InChIKeyJBKISCKLLQFTAP-XVNBXDOJSA-N
XLogP2.88
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide (CID 144811991) is (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide is Cc1nnc(-c2ccc(OCCNC(=O)/C=C/c3ccc(N)nc3)c(Cl)c2)o1.
What is the InChIKey of (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide?
The InChIKey is JBKISCKLLQFTAP-XVNBXDOJSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-12-24-25-19(28-12)14-4-5-16(15(20)10-14)27-9-8-22-18(26)7-3-13-2-6-17(21)23-11-13/h2-7,10-11H,8-9H2,1H3,(H2,21,23)(H,22,26)/b7-3+.
What are the key properties of (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide?
(E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide has a molecular weight of 399.84 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-amino-3-pyridinyl)-N-[2-[2-chloro-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 144811991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).