(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide

C20H24N4O3 — CID 87637028

IUPAC(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide
SMILESCOc1ccc(CN2CC[C@@H](Nc3ccc(/C=C/C(=O)NO)cn3)C2)cc1
InChIInChI=1S/C20H24N4O3/c1-27-18-6-2-16(3-7-18)13-24-11-10-17(14-24)22-19-8-4-15(12-21-19)5-9-20(25)23-26/h2-9,12,17,26H,10-11,13-14H2,1H3,(H,21,22)(H,23,25)/b9-5+/t17-/m1/s1
InChIKeyFXLFKOTYUYWXDU-HFTQHKIXSA-N
MW368.44 g/mol
LogP2.30
Rot. Bonds7

About (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide (PubChem CID 87637028) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide
PubChem CID87637028
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide
SMILESCOc1ccc(CN2CC[C@@H](Nc3ccc(/C=C/C(=O)NO)cn3)C2)cc1
InChIInChI=1S/C20H24N4O3/c1-27-18-6-2-16(3-7-18)13-24-11-10-17(14-24)22-19-8-4-15(12-21-19)5-9-20(25)23-26/h2-9,12,17,26H,10-11,13-14H2,1H3,(H,21,22)(H,23,25)/b9-5+/t17-/m1/s1
InChIKeyFXLFKOTYUYWXDU-HFTQHKIXSA-N
XLogP2.30
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]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)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide (CID 87637028) is (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide is COc1ccc(CN2CC[C@@H](Nc3ccc(/C=C/C(=O)NO)cn3)C2)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide?
The InChIKey is FXLFKOTYUYWXDU-HFTQHKIXSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-6-2-16(3-7-18)13-24-11-10-17(14-24)22-19-8-4-15(12-21-19)5-9-20(25)23-26/h2-9,12,17,26H,10-11,13-14H2,1H3,(H,21,22)(H,23,25)/b9-5+/t17-/m1/s1.
What are the key properties of (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 87637028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).