(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide

C18H27N5O3 — CID 136651794

IUPAC(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide
SMILESCC(C)[C@@H](Nc1cnc(C=CC(=O)NO)cn1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H27N5O3/c1-12(2)17(18(25)21-13-6-4-3-5-7-13)22-15-11-19-14(10-20-15)8-9-16(24)23-26/h8-13,17,26H,3-7H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)/t17-/m1/s1
InChIKeyFEJXQHOSUQPKJY-QGZVFWFLSA-N
MW361.45 g/mol
LogP1.88
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide

(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide (PubChem CID 136651794) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide
PubChem CID136651794
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide
SMILESCC(C)[C@@H](Nc1cnc(C=CC(=O)NO)cn1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H27N5O3/c1-12(2)17(18(25)21-13-6-4-3-5-7-13)22-15-11-19-14(10-20-15)8-9-16(24)23-26/h8-13,17,26H,3-7H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)/t17-/m1/s1
InChIKeyFEJXQHOSUQPKJY-QGZVFWFLSA-N
XLogP1.88
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.88
H-Bond Donors ≤ 54
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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Related Compounds

methyl (E)-3-[5-[[(2R)-1-(cyclohexylamino)-1-oxobutan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242473
(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide
CID 90839485
3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173125101
(2R)-3-methyl-2-[[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-N-(2-phenylethyl)butanamide
CID 59242384
3-[5-[[(3R)-1-(2-cyclohexylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide
CID 136653803
N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide
CID 136629773
methyl 3-[5-[[(2R)-1-[cyclohexyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 91606424
methyl (E)-3-[5-[[(2R)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 59242342
methyl 3-[5-[[(2R)-1-[cyclopentylmethyl(methyl)amino]propan-2-yl]amino]pyrazin-2-yl]prop-2-enoate
CID 90713256
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
N-[(2R)-2-[[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propyl]cyclohexanecarboxamide
CID 59242176
3-[5-[[(3R)-1-[2-(2-chlorophenyl)ethyl]piperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 173048729

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide (CID 136651794) is (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide is CC(C)[C@@H](Nc1cnc(C=CC(=O)NO)cn1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide?
The InChIKey is FEJXQHOSUQPKJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-12(2)17(18(25)21-13-6-4-3-5-7-13)22-15-11-19-14(10-20-15)8-9-16(24)23-26/h8-13,17,26H,3-7H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide?
(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide has a molecular weight of 361.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 136651794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).