N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride

C18H24Cl2N4O3 — CID 173125151

IUPACN-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
SMILESCc1ccc(CN2CC[C@@H](Nc3ccc(C=CC(=O)NO)cn3)C2)o1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-13-2-5-16(25-13)12-22-9-8-15(11-22)20-17-6-3-14(10-19-17)4-7-18(23)21-24;;/h2-7,10,15,24H,8-9,11-12H2,1H3,(H,19,20)(H,21,23);2*1H/t15-;;/m1../s1
InChIKeyCRBVBLABOYNTEC-QCUBGVIVSA-N
MW415.32 g/mol
LogP3.03
Rot. Bonds6

About N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride

N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride (PubChem CID 173125151) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride.

Molecular Properties

Compound NameN-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
PubChem CID173125151
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC NameN-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
SMILESCc1ccc(CN2CC[C@@H](Nc3ccc(C=CC(=O)NO)cn3)C2)o1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-13-2-5-16(25-13)12-22-9-8-15(11-22)20-17-6-3-14(10-19-17)4-7-18(23)21-24;;/h2-7,10,15,24H,8-9,11-12H2,1H3,(H,19,20)(H,21,23);2*1H/t15-;;/m1../s1
InChIKeyCRBVBLABOYNTEC-QCUBGVIVSA-N
XLogP3.03
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.03
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride?
The IUPAC name of N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride (CID 173125151) is N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride.
What is the SMILES notation for N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride?
The canonical SMILES for N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride is Cc1ccc(CN2CC[C@@H](Nc3ccc(C=CC(=O)NO)cn3)C2)o1.Cl.Cl.
What is the InChIKey of N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride?
The InChIKey is CRBVBLABOYNTEC-QCUBGVIVSA-N. The full InChI is InChI=1S/C18H22N4O3.2ClH/c1-13-2-5-16(25-13)12-22-9-8-15(11-22)20-17-6-3-14(10-19-17)4-7-18(23)21-24;;/h2-7,10,15,24H,8-9,11-12H2,1H3,(H,19,20)(H,21,23);2*1H/t15-;;/m1../s1.
What are the key properties of N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride?
N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride has a molecular weight of 415.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride is sourced from PubChem (CID 173125151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).