(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

C17H26N4O2 — CID 87638549

IUPAC(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)CN1CC[C@@H](Nc2ccc(/C=C/C(=O)NO)cn2)C1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)12-21-9-8-14(11-21)19-15-6-4-13(10-18-15)5-7-16(22)20-23/h4-7,10,14,23H,8-9,11-12H2,1-3H3,(H,18,19)(H,20,22)/b7-5+/t14-/m1/s1
InChIKeyWHDBAQUYSQVETN-HZRUHFOJSA-N
MW318.42 g/mol
LogP2.13
Rot. Bonds5

About (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 87638549) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID87638549
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)CN1CC[C@@H](Nc2ccc(/C=C/C(=O)NO)cn2)C1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)12-21-9-8-14(11-21)19-15-6-4-13(10-18-15)5-7-16(22)20-23/h4-7,10,14,23H,8-9,11-12H2,1-3H3,(H,18,19)(H,20,22)/b7-5+/t14-/m1/s1
InChIKeyWHDBAQUYSQVETN-HZRUHFOJSA-N
XLogP2.13
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-[6-[[(3R)-1-(2-ethylbutyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124813
(E)-3-[6-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87789937
3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 73060716
(E)-3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636921
(E)-3-[6-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87790355
N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 173125151
(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide
CID 87637028
3-[6-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91180936
(E)-3-[6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 86603772
3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124915
(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 87636671
N-hydroxy-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 173124805

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 87638549) is (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is CC(C)(C)CN1CC[C@@H](Nc2ccc(/C=C/C(=O)NO)cn2)C1.
What is the InChIKey of (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is WHDBAQUYSQVETN-HZRUHFOJSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)12-21-9-8-14(11-21)19-15-6-4-13(10-18-15)5-7-16(22)20-23/h4-7,10,14,23H,8-9,11-12H2,1-3H3,(H,18,19)(H,20,22)/b7-5+/t14-/m1/s1.
What are the key properties of (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 318.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87638549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).