3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride

C19H28Cl2N4O2 — CID 173124915

IUPAC3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
SMILESCl.Cl.O=C(C=Cc1ccc(N[C@@H]2CCN(CC3=CCCCC3)C2)nc1)NO
InChIInChI=1S/C19H26N4O2.2ClH/c24-19(22-25)9-7-15-6-8-18(20-12-15)21-17-10-11-23(14-17)13-16-4-2-1-3-5-16;;/h4,6-9,12,17,25H,1-3,5,10-11,13-14H2,(H,20,21)(H,22,24);2*1H/t17-;;/m1../s1
InChIKeyRIHAWFCJXRMJTD-ZEECNFPPSA-N
MW415.37 g/mol
LogP3.43
Rot. Bonds6

About 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride

3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride (PubChem CID 173124915) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride.

Molecular Properties

Compound Name3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
PubChem CID173124915
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
SMILESCl.Cl.O=C(C=Cc1ccc(N[C@@H]2CCN(CC3=CCCCC3)C2)nc1)NO
InChIInChI=1S/C19H26N4O2.2ClH/c24-19(22-25)9-7-15-6-8-18(20-12-15)21-17-10-11-23(14-17)13-16-4-2-1-3-5-16;;/h4,6-9,12,17,25H,1-3,5,10-11,13-14H2,(H,20,21)(H,22,24);2*1H/t17-;;/m1../s1
InChIKeyRIHAWFCJXRMJTD-ZEECNFPPSA-N
XLogP3.43
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

(E)-3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636921
3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 73060716
(E)-3-[6-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87790355
(E)-3-[6-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87789937
(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
(E)-3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87637103
(E)-3-[6-[[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87636936
(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide
CID 87637028
N-hydroxy-3-[6-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 173125151
(E)-3-[6-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 87638549
3-[6-[[(3R)-1-(2-ethylbutyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173124813

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride?
The IUPAC name of 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride (CID 173124915) is 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride.
What is the SMILES notation for 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride?
The canonical SMILES for 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride is Cl.Cl.O=C(C=Cc1ccc(N[C@@H]2CCN(CC3=CCCCC3)C2)nc1)NO.
What is the InChIKey of 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride?
The InChIKey is RIHAWFCJXRMJTD-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H26N4O2.2ClH/c24-19(22-25)9-7-15-6-8-18(20-12-15)21-17-10-11-23(14-17)13-16-4-2-1-3-5-16;;/h4,6-9,12,17,25H,1-3,5,10-11,13-14H2,(H,20,21)(H,22,24);2*1H/t17-;;/m1../s1.
What are the key properties of 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride?
3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride is sourced from PubChem (CID 173124915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).